Geometry & MOs

Info

ID:	269489
PubChem CID:	103617705
Reduced:	ClINOSH11C13 (1)
Stoich.:	ABCDEF11G13 (1)
Weight, g/mol:	290.028062
ΔH_f, kcal/mol:	10.8
Dipole, Da:	3.46
IP(EA), eV:	-9.06(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-chlorothiophen-2-yl)ethyl]-4-cyanobenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NCCC2=CC=C(S2)Cl)I

DOS

IR

Vibrations