Geometry & MOs

Info

ID:	177671
PubChem CID:	76211301
Reduced:	NH4O7C10 (1)
Stoich.:	AB4C7D10 (1)
Weight, g/mol:	462.101621
ΔH_f, kcal/mol:	-152.22
Dipole, Da:	2.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.780308
Charge, e:	0

Chem-info

IUPAC name:

3-(benzenesulfonyl)-N-(3-chlorophenyl)-4-hydroxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-7-carboxamide

Drug info:

PubChemData

Smile

C1=C(C(=C=CC(=O)C(=O)O)C(=NC1=O)C(=O)O)[O-]

DOS

IR

Vibrations