Geometry & MOs

Info

ID:	373888
PubChem CID:	131321042
Reduced:	NSO3H5C10 (1)
Stoich.:	ABC3D5E10 (1)
Weight, g/mol:	343.91165
ΔH_f, kcal/mol:	-50.67
Dipole, Da:	5.3
IP(EA), eV:	-9.38(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C2C=C(SC2=C(C=C1O)C#N)C(=O)O

DOS

IR

Vibrations