Geometry & MOs

Info

ID:	6124
PubChem CID:	67102
Reduced:	O3C19H26 (1)
Stoich.:	A3B19C26 (1)
Weight, g/mol:	302.188195
ΔH_f, kcal/mol:	-155.6
Dipole, Da:	2.59
IP(EA), eV:	-8.44(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R,9S,13S,14S,17S)-2,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,4,17-triol

Drug info:

PubChemData

Smile

CC1=CC2=C(CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)C(=C1O)O

DOS

IR

Vibrations