Geometry & MOs

Info

ID:	4353
PubChem CID:	11272
Reduced:	O4C21H32 (1)
Stoich.:	A4B21C32 (1)
Weight, g/mol:	348.23006
ΔH_f, kcal/mol:	-215.58
Dipole, Da:	5.68
IP(EA), eV:	-9.71(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC12CCC(CC1CCC3C2C(=O)CC4(C3CCC4C(=O)CO)C)O

DOS

IR

Vibrations