Geometry & MOs

Info

ID:	394305
PubChem CID:	135022743
Reduced:	O3C19H22 (1)
Stoich.:	A3B19C22 (1)
Weight, g/mol:	582.282883
ΔH_f, kcal/mol:	-99.19
Dipole, Da:	1.74
IP(EA), eV:	-8.74(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R,3aR,5E,9R,11R,12E,13aS)-1,3a,9-triacetyloxy-2,5,8,8,12-pentamethyl-4-oxo-1,2,3,7,9,10,11,13a-octahydrocyclopenta[12]annulen-11-yl] benzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H]2CCC[C@H](O2)CC3=CC=C(C=C3)O

DOS

IR

Vibrations