Geometry & MOs

Info

ID:	193805
PubChem CID:	78440574
Reduced:	ON2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	357.054518
ΔH_f, kcal/mol:	42.9
Dipole, Da:	15.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.817517
Charge, e:	-1

Chem-info

IUPAC name:

6-[(3-methylphenyl)sulfamoyl]-2-oxo-6H-quinoline-4-carboxylate

Drug info:

PubChemData

Smile

C[NH+](C)C=CC=CC(=O)C1=CC=NC=C1

DOS

IR

Vibrations