Geometry & MOs

Info

ID:	4003
PubChem CID:	10570
Reduced:	O3C19H30 (1)
Stoich.:	A3B19C30 (1)
Weight, g/mol:	306.219495
ΔH_f, kcal/mol:	-187.33
Dipole, Da:	3.34
IP(EA), eV:	-9.85(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3,11-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one

Drug info:

PubChemData

Smile

CC12CC[C@@H](CC1CCC3C2C(CC4(C3CCC4=O)C)O)O

DOS

IR

Vibrations