Geometry & MOs

Info

ID:	146135
PubChem CID:	53641877
Reduced:	N3O3C17H19 (1)
Stoich.:	A3B3C17D19 (1)
Weight, g/mol:	462.222866
ΔH_f, kcal/mol:	-63.47
Dipole, Da:	6.98
IP(EA), eV:	-8.95(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R,9S,10R,13S,14R)-17-acetyl-16-(benzenesulfinylmethyl)-6,10,13-trimethyl-1,2,8,9,11,12,14,17-octahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CNC(=O)C1=CN=C(C=C1OC2=CC=CC=C2)N3CCOCC3

DOS

IR

Vibrations