Geometry & MOs

Info

ID:	21316
PubChem CID:	587917
Reduced:	ClSN3O4H10C13 (1)
Stoich.:	ABC3D4E10F13 (1)
Weight, g/mol:	339.008055
ΔH_f, kcal/mol:	-45.92
Dipole, Da:	4.27
IP(EA), eV:	-9.69(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methylcarbamoyl]-5-nitrothiophene-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC(=O)NC(=O)C2=CSC(=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations