Geometry & MOs

Info

ID:	372667
PubChem CID:	131301825
Reduced:	NO4C11H11 (1)
Stoich.:	AB4C11D11 (1)
Weight, g/mol:	342.9164
ΔH_f, kcal/mol:	-109.64
Dipole, Da:	2.15
IP(EA), eV:	-8.57(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-cyano-3-iodo-1-benzothiophen-5-yl)acetic acid

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)OC(=C2)C(=O)OC)N

DOS

IR

Vibrations