Geometry & MOs

Info

ID:	373433
PubChem CID:	131315159
Reduced:	ClINSH7C11 (1)
Stoich.:	ABCDE7F11 (1)
Weight, g/mol:	346.90324
ΔH_f, kcal/mol:	70.66
Dipole, Da:	2.92
IP(EA), eV:	-9.1(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(chloromethyl)-4-iodo-1-benzothiophen-7-yl]acetonitrile

Drug info:

PubChemData

Smile

C1=CSC2=C1C(=C(C(=C2)CCl)CC#N)I

DOS

IR

Vibrations