Geometry & MOs

Info

ID:	177800
PubChem CID:	76231878
Reduced:	S2N4O4C19H20 (1)
Stoich.:	A2B4C4D19E20 (1)
Weight, g/mol:	500.113248
ΔH_f, kcal/mol:	-30.68
Dipole, Da:	9.19
IP(EA), eV:	-9.29(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-3-nitrophenyl)-6-morpholin-4-ylsulfonyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C)SCC2=NC(=O)C3C(=C(SC3=N2)C)C

DOS

IR

Vibrations