Geometry & MOs

Info

ID:

192452

PubChem CID:

78271056

Reduced:

ClNSO4C13H15 (1)

Stoich.:

ABCD4E13F15 (1)

Weight, g/mol:

358.062343

ΔHf, kcal/mol:

-93.16

Dipole, Da:

13.96

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.766103

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)[O-])Cl

DOS

IR

Vibrations