Geometry & MOs

Info

ID:	373432
PubChem CID:	131315157
Reduced:	ClINSH7C11 (1)
Stoich.:	ABCDE7F11 (1)
Weight, g/mol:	346.90324
ΔH_f, kcal/mol:	70.05
Dipole, Da:	3.62
IP(EA), eV:	-9.07(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(chloromethyl)-4-iodo-1-benzothiophen-5-yl]acetonitrile

Drug info:

PubChemData

Smile

C1=CSC2=C1C(=CC(=C2I)CCl)CC#N

DOS

IR

Vibrations