Geometry & MOs

Info

ID:	4615
PubChem CID:	11740
Reduced:	O5C22H28 (1)
Stoich.:	A5B22C28 (1)
Weight, g/mol:	372.193674
ΔH_f, kcal/mol:	-194.69
Dipole, Da:	8.35
IP(EA), eV:	-9.85(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC12CC(C3C(C1CC(=C)C2(C(=O)CO)O)CCC4=CC(=O)C=CC34C)O

DOS

IR

Vibrations