Geometry & MOs

Info

ID:	89825
PubChem CID:	49964846
Reduced:	SO2N3C16H16 (1)
Stoich.:	AB2C3D16E16 (1)
Weight, g/mol:	343.062677
ΔH_f, kcal/mol:	-11.64
Dipole, Da:	6.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.145282
Charge, e:	0

Chem-info

IUPAC name:

(1-methylquinolin-1-ium-6-yl)-(4-nitrophenyl)sulfonylazanide

Drug info:

PubChemData

Smile

C[N+]1=CC=CC2=C1C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)N

DOS

IR

Vibrations