Geometry & MOs

Info

ID:	269485
PubChem CID:	103617695
Reduced:	BrClNOS2H9C11 (1)
Stoich.:	ABCDE2F9G11 (1)
Weight, g/mol:	290.028062
ΔH_f, kcal/mol:	7.47
Dipole, Da:	2.03
IP(EA), eV:	-9.43(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-chlorothiophen-2-yl)ethyl]-3-cyanobenzamide

Drug info:

PubChemData

Smile

C1=CSC(=C1Br)C(=O)NCCC2=CC=C(S2)Cl

DOS

IR

Vibrations