Geometry & MOs

Info

ID:	140550
PubChem CID:	52717662
Reduced:	ClSN2O4H21C22 (1)
Stoich.:	ABC2D4E21F22 (1)
Weight, g/mol:	362.081067
ΔH_f, kcal/mol:	-105.07
Dipole, Da:	7.62
IP(EA), eV:	-8.27(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

N-[4-(ethylsulfonylamino)phenyl]-2-methyl-3-nitrobenzenecarboximidate

Drug info:

PubChemData

Smile

CCS(=O)(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2OCC3=CC=CC=C3Cl

DOS

IR

Vibrations