Geometry & MOs

Info

ID:	372402
PubChem CID:	131297007
Reduced:	NO2C11H11 (1)
Stoich.:	AB2C11D11 (1)
Weight, g/mol:	342.9164
ΔH_f, kcal/mol:	-21.77
Dipole, Da:	4.39
IP(EA), eV:	-9.45(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-cyano-2-iodo-1-benzothiophen-5-yl)acetic acid

Drug info:

PubChemData

Smile

C1CC1(C#N)C(C2=CC=CC=C2O)O

DOS

IR

Vibrations