Geometry & MOs

Info

ID:	68954
PubChem CID:	46513492
Reduced:	SCl2N2O4C19H22 (1)
Stoich.:	AB2C2D4E19F22 (1)
Weight, g/mol:	398.085577
ΔH_f, kcal/mol:	-112.78
Dipole, Da:	4.44
IP(EA), eV:	-9.57(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[3-(3-chloro-4-methylphenyl)propanoylamino]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C1=CC=C(C=C1)Cl)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N(C)OC

DOS

IR

Vibrations