Geometry & MOs

Info

ID:	382194
PubChem CID:	134973178
Reduced:	OC11H16 (1)
Stoich.:	AB11C16 (1)
Weight, g/mol:	336.084517
ΔH_f, kcal/mol:	-50.24
Dipole, Da:	2.74
IP(EA), eV:	-9.54(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S,6S,7S)-7-(acetyloxymethyl)-10,12-dioxo-3,11-dioxatricyclo[5.3.1.12,6]dodeca-4,8-dien-4-yl]methyl acetate

Drug info:

PubChemData

Smile

C1CC[C@@H]2[C@H](C1)CC=CCC2=O

DOS

IR

Vibrations