Geometry & MOs

Info

ID:	158367
PubChem CID:	56463518
Reduced:	S2N3O7C16H19 (1)
Stoich.:	A2B3C7D16E19 (1)
Weight, g/mol:	414.047477
ΔH_f, kcal/mol:	-147.89
Dipole, Da:	5.88
IP(EA), eV:	-9.48(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-chlorobenzoyl)amino]-N-(2-ethylsulfonylethyl)-3-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)C1=CC(=C(C=C1[N+](=O)[O-])OCC2=CSC=N2)OC

DOS

IR

Vibrations