Geometry & MOs

Info

ID:	63967
PubChem CID:	26759580
Reduced:	SN3O3C21H23 (1)
Stoich.:	AB3C3D21E23 (1)
Weight, g/mol:	425.08122
ΔH_f, kcal/mol:	-66.58
Dipole, Da:	4.54
IP(EA), eV:	-8.92(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-nitrobenzamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C2=NC3=CC=CC=C3C=C2)C

DOS

IR

Vibrations