Geometry & MOs

Info

ID:	18127
PubChem CID:	538429
Reduced:	O5C22H32 (1)
Stoich.:	A5B22C32 (1)
Weight, g/mol:	376.224974
ΔH_f, kcal/mol:	-212.26
Dipole, Da:	2.63
IP(EA), eV:	-9.92(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11,17-dihydroxy-17-(2-hydroxyacetyl)-2,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CC1CC2(C3C(CCC2=CC1=O)C4CCC(C4(CC3O)C)(C(=O)CO)O)C

DOS

IR

Vibrations