Geometry & MOs

Info

ID:	373575
PubChem CID:	131317466
Reduced:	ClINSH7C11 (1)
Stoich.:	ABCDE7F11 (1)
Weight, g/mol:	346.90324
ΔH_f, kcal/mol:	70.09
Dipole, Da:	3.08
IP(EA), eV:	-9.07(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[7-(chloromethyl)-6-iodo-1-benzothiophen-5-yl]acetonitrile

Drug info:

PubChemData

Smile

C1=CSC2=C(C=C(C(=C21)I)CC#N)CCl

DOS

IR

Vibrations