Geometry & MOs

Info

ID:	23272
PubChem CID:	602963
Reduced:	SN3O6C7H7 (1)
Stoich.:	AB3C6D7E7 (1)
Weight, g/mol:	261.005556
ΔH_f, kcal/mol:	-69.76
Dipole, Da:	3.67
IP(EA), eV:	-10.15(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dinitrophenyl)methanesulfonamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=C(C=CC=C1[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations