Geometry & MOs

Info

ID:	67282
PubChem CID:	46506201
Reduced:	S2N3O5H9C13 (1)
Stoich.:	A2B3C5D9E13 (1)
Weight, g/mol:	329.047027
ΔH_f, kcal/mol:	-73.8
Dipole, Da:	8.24
IP(EA), eV:	-9.68(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-nitrophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)S3)[N+](=O)[O-]

DOS

IR

Vibrations