Geometry & MOs

Info

ID:	193806
PubChem CID:	78440930
Reduced:	SN2O5H13C17 (1)
Stoich.:	AB2C5D13E17 (1)
Weight, g/mol:	373.049432
ΔH_f, kcal/mol:	-50.23
Dipole, Da:	3.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.822333
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NS(=O)(=O)C2C=CC3=NC(=O)C=C(C3=C2)C(=O)[O-]

DOS

IR

Vibrations