Geometry & MOs

Info

ID:	153452
PubChem CID:	56312652
Reduced:	ClON3C20H20 (1)
Stoich.:	ABC3D20E20 (1)
Weight, g/mol:	426.116877
ΔH_f, kcal/mol:	29.04
Dipole, Da:	2.84
IP(EA), eV:	-9.24(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-chlorobenzoyl)amino]-3-methyl-N-(3-phenylbutyl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(CCNC(=O)C1=CN(N=C1)C2=CC=C(C=C2)Cl)C3=CC=CC=C3

DOS

IR

Vibrations