What is the role of molecular modeling software in calculating the properties of different molecules? Can it accurately calculate compounds that contain chiral isomers and other asymmetric structures?
It is often possible to calculate properties for compounds that contain chiral isomers and other asymmetric structures using molecular modeling software. However, it is important to note that not all calculations performed using this software are always accurate.
To access the Chemagic website, open your web browser and navigate to Chemagic.org. Once on the website, click on the "Chemist - Doodle Pad" or use the draw button on the Model Kit page.
Use the drawing pad to sketch all the possible isomers of 2-dichlorobutane as bond line structures. You can use the Snipping tool or the Print Screen command to copy the bond line structures into your Post-Lab assignment.
Optimize each isomer structure of 2,3-dichlorobutane on the Model Kit page. Use the R/S labeling tool to label each chiral center in all of the isomers. Again, you can use the snipping tool or Print Screen command to copy the model structures into your Post-Lab assignment. Load the R,S isomer model for 2,3-dichlorobutane for the following steps.
Calculate the molar mass of 2,3-dichlorobutane. Also, calculate the bond distances for C1-C2, C1-Cs, C1-H, and C1-Cl.