Geometry & MOs

Info

ID:	39492
PubChem CID:	8140992
Reduced:	ClSO2N3H14C17 (1)
Stoich.:	ABC2D3E14F17 (1)
Weight, g/mol:	353.023705
ΔH_f, kcal/mol:	-16.84
Dipole, Da:	5.71
IP(EA), eV:	-8.87(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-5-nitrothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CN(CC(=O)NC1=CC=C(C=C1)Cl)C(=O)C2=CC3=C(C=C2)N=CS3

DOS

IR

Vibrations