Talk:Mod:elle0000

Cp: Good

NAD: Good

Taxol: Your two structures both have the carbonyl "down", which is why they are so similar in energy!

CCl2: HOMO and LUMO look a little odd. Vibrations OK

Mini-project: Interesting choice! You were brave to tackle 4 isomers (2 would have been enough). Your ChemDraw drawings of the isomers are not very clear, and I don't think they match the JMols. Good to have calculated all the 13C spectra, but it would have been good to try to quantify how well each calculated set matches the experimental. Why is the second C=O for pseudococaine so far off? Could you tell which-is-which with confidence from the 13C? What about other spectroscopic techniques - what would have been useful to distinguish the isomers?