Geometry & MOs

Info

ID:	15377
PubChem CID:	440105
Reduced:	OC7H10 (3)
Stoich.:	AB7C10 (3)
Weight, g/mol:	330.219495
ΔH_f, kcal/mol:	-153.67
Dipole, Da:	6.48
IP(EA), eV:	-9.65(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S,9S,10R,11R,13S,14S)-17-acetyl-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CC(=O)C1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C

DOS

IR

Vibrations