Geometry & MOs

Info

ID:	1699
PubChem CID:	4894
Reduced:	O5C21H28 (1)
Stoich.:	A5B21C28 (1)
Weight, g/mol:	360.193674
ΔH_f, kcal/mol:	-214.18
Dipole, Da:	9.09
IP(EA), eV:	-9.84(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CC12CC(C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C)O

DOS

IR

Vibrations