Geometry & MOs

Info

ID:	140551
PubChem CID:	52717663
Reduced:	SN3O5C16H16 (1)
Stoich.:	AB3C5D16E16 (1)
Weight, g/mol:	363.088892
ΔH_f, kcal/mol:	-51.99
Dipole, Da:	6.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.127556
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCS(=O)(=O)NC1=CC=C(C=C1)N=C(C2=C(C(=CC=C2)[N+](=O)[O-])C)[O-]

DOS

IR

Vibrations