Geometry & MOs

Info

ID:	3017
PubChem CID:	9050
Reduced:	O4C21H30 (1)
Stoich.:	A4B21C30 (1)
Weight, g/mol:	346.214409
ΔH_f, kcal/mol:	-198.03
Dipole, Da:	2.48
IP(EA), eV:	-9.89(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC12CCC(=O)C=C1CCC3C2CCC4(C3CC[C@@]4(C(=O)CO)O)C

DOS

IR

Vibrations