Geometry & MOs

Info

ID:	297757
PubChem CID:	117629241
Reduced:	ClNO3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	438.232558
ΔH_f, kcal/mol:	-137.56
Dipole, Da:	5.44
IP(EA), eV:	-9.32(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R,9R,10R,13S,14S)-1-[2-[4-(chloromethyl)phenyl]ethyl]-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione

Drug info:

PubChemData

Smile

CC(C)(CCO)OC1=C(C=C(C=C1)Cl)C(=O)N

DOS

IR

Vibrations