The CS ChemDraw Plugin

This page uses the ChemDraw Plugin, which lets you create complex molecules. It lets you perform elemental analysis, and also provides links to site which can optimize the geometry of the molecule you created, or find the vibrational modes of the molecule you created

The ChemDraw Plugin automatically turns your web browser into ChemDraw (a popular molecular drawing package) whenever a page containing an embedded ChemDraw document is encountered. This page will give an empty ChemDraw Plugin window with scroll bars along the right and bottom of the window and a palette floating somewhere in the window's general vicinity.

• To use ChemDraw commands, point within the window below and right-click (Windows users) or point within the window below, press and hold the Ctrl key and hold down the mouse button (Macintosh users).
• Drag the mouse button to the submenu of interest and then select from the available commands in the submenu.
• To use a tool in the Tools palette, simply click to activate it.

If you are not familiar with how the commands and tools work, you can refer to the ChemDraw User's Guide

The window below lets you perform an elemental analysis of any structure you draw. The calculation occurs locally, without the need for your computer to be connected to the Internet!.

Formula

Composition

Mol. Weight

Exact Mass

To optimize the geometry of the molecule you created, first create the molecule in the window above. Select the entire molecule using one of the selection tools, then position the cursor outside of the molecule. Right-click (or control-click), go to Edit, go to Copy as SMILES. This gives a text string which uniquely specified the molecule. You can then optimize the geometry by going to http://www2.chemie.uni-erlangen.de/services/3d.html and pasting the SMILES string. You can find the vibrational modes by pasting the SMILES string at http://www2.chemie.uni-erlangen.de/services/vrmlvib/index.html