Geometry & MOs

Info

ID:	13449
PubChem CID:	232921
Reduced:	ClO3C20H27 (1)
Stoich.:	AB3C20D27 (1)
Weight, g/mol:	350.164872
ΔH_f, kcal/mol:	-168.67
Dipole, Da:	7.64
IP(EA), eV:	-9.8(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-chloro-17-hydroxy-10,13,17-trimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione

Drug info:

PubChemData

Smile

CC12CCC(=O)C=C1CCC3C2(C(=O)CC4(C3CCC4(C)O)C)Cl

DOS

IR

Vibrations