Geometry & MOs

Info

ID:	67806
PubChem CID:	46507201
Reduced:	ClSN2O3H9C16 (1)
Stoich.:	ABC2D3E9F16 (1)
Weight, g/mol:	340.051778
ΔH_f, kcal/mol:	-31.52
Dipole, Da:	10.43
IP(EA), eV:	-9.68(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(6-methoxy-4-oxo-1H-quinolin-3-yl)sulfonyl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)S(=O)(=O)C2=CNC3=C(C2=O)C=C(C=C3)Cl)C#N

DOS

IR

Vibrations