Geometry & MOs

Info

ID:	158368
PubChem CID:	56463519
Reduced:	ClN2S2O4C17H19 (1)
Stoich.:	AB2C2D4E17F19 (1)
Weight, g/mol:	432.038055
ΔH_f, kcal/mol:	-144.46
Dipole, Da:	5.73
IP(EA), eV:	-8.86(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-chloro-4-fluorobenzoyl)amino]-N-(2-ethylsulfonylethyl)-3-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)C1=C(C=C(S1)NC(=O)C2=CC=CC=C2Cl)C

DOS

IR

Vibrations