Geometry & MOs

Info

ID:	177384
PubChem CID:	76178886
Reduced:	ClNS2O4H9C17 (1)
Stoich.:	ABC2D4E9F17 (1)
Weight, g/mol:	320.153621
ΔH_f, kcal/mol:	-43.0
Dipole, Da:	8.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.281123
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=C2C(=O)N(C(=S)S2)C3=CC(=C(C=C3)[O-])C(=O)O)Cl

DOS

IR

Vibrations