Geometry & MOs

Info

ID:	4005
PubChem CID:	10576
Reduced:	O2C19H28 (1)
Stoich.:	A2B19C28 (1)
Weight, g/mol:	288.20893
ΔH_f, kcal/mol:	-17.53
Dipole, Da:	6.34
IP(EA), eV:	-9.04(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@]1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34)C)O

DOS

IR

Vibrations