Geometry & MOs

Info

ID:	374887
PubChem CID:	131349652
Reduced:	ISN2O2H5C10 (1)
Stoich.:	ABC2D2E5F10 (1)
Weight, g/mol:	343.91165
ΔH_f, kcal/mol:	80.94
Dipole, Da:	5.82
IP(EA), eV:	-9.56(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-iodo-2-nitro-1-benzothiophen-6-yl)acetonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C2=C1SC(=C2)[N+](=O)[O-])CC#N)I

DOS

IR

Vibrations