Geometry & MOs

Info

ID:	268583
PubChem CID:	103600082
Reduced:	ClON5H8C11 (1)
Stoich.:	ABC5D8E11 (1)
Weight, g/mol:	306.98184
ΔH_f, kcal/mol:	61.52
Dipole, Da:	2.41
IP(EA), eV:	-9.8(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-cyanophenyl)-5-nitrothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)NC(=O)CN2C=NC=N2)C#N

DOS

IR

Vibrations