Geometry & MOs

Info

ID:	5545
PubChem CID:	13308
Reduced:	O2C19H26 (1)
Stoich.:	A2B19C26 (1)
Weight, g/mol:	286.19328
ΔH_f, kcal/mol:	-89.0
Dipole, Da:	6.86
IP(EA), eV:	-9.71(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)C=C[C@]34C

DOS

IR

Vibrations