Geometry & MOs

Info

ID:	373431
PubChem CID:	131315146
Reduced:	ClISF3H5C10 (1)
Stoich.:	ABCD3E5F10 (1)
Weight, g/mol:	346.90324
ΔH_f, kcal/mol:	-118.73
Dipole, Da:	3.58
IP(EA), eV:	-9.26(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C2=C1SC(=C2)C(F)(F)F)CCl)I

DOS

IR

Vibrations