Geometry & MOs

Info

ID:	25453
PubChem CID:	625277
Reduced:	ClO3H11C16 (1)
Stoich.:	AB3C11D16 (1)
Weight, g/mol:	346.214409
ΔH_f, kcal/mol:	-49.35
Dipole, Da:	3.42
IP(EA), eV:	-9.28(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=O)C(=CC3=CC(=CC=C3)Cl)O2

DOS

IR

Vibrations