Geometry & MOs

Info

ID:	66056
PubChem CID:	46490907
Reduced:	SO2N4C17H18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	416.076155
ΔH_f, kcal/mol:	23.46
Dipole, Da:	1.96
IP(EA), eV:	-9.22(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-chlorophenyl)ethyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=N1)NC(=O)CCCC2=NC(=NO2)C3=CC=CS3

DOS

IR

Vibrations