Geometry & MOs

Info

ID:	7315
PubChem CID:	72118
Reduced:	ClSN3O3C15H17 (1)
Stoich.:	ABC3D3E15F17 (1)
Weight, g/mol:	354.067915
ΔH_f, kcal/mol:	-65.61
Dipole, Da:	4.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.042929
Charge, e:	1

Chem-info

IUPAC name:

4-chloro-3-sulfamoyl-N-(2,4,6-trimethylpyridin-1-ium-1-yl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=[N+](C(=C1)C)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N)C

DOS

IR

Vibrations