Geometry & MOs

Info

ID:	147751
PubChem CID:	53787409
Reduced:	O3N6C20H24 (1)
Stoich.:	A3B6C20D24 (1)
Weight, g/mol:	394.156243
ΔH_f, kcal/mol:	16.56
Dipole, Da:	2.39
IP(EA), eV:	-8.89(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(13S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] N-carbamoylsulfamate

Drug info:

PubChemData

Smile

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3N(C)CCO)[N+](=O)[O-]

DOS

IR

Vibrations