Geometry & MOs

Info

ID:	374888
PubChem CID:	131349653
Reduced:	ISN2O2H5C10 (1)
Stoich.:	ABC2D2E5F10 (1)
Weight, g/mol:	343.91165
ΔH_f, kcal/mol:	80.36
Dipole, Da:	4.9
IP(EA), eV:	-9.56(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-iodo-3-nitro-1-benzothiophen-2-yl)acetonitrile

Drug info:

PubChemData

Smile

C1=C2C=C(SC2=CC(=C1I)CC#N)[N+](=O)[O-]

DOS

IR

Vibrations