Geometry & MOs

Info

ID:	374797
PubChem CID:	131345363
Reduced:	ON3C5H5 (1)
Stoich.:	AB3C5D5 (1)
Weight, g/mol:	333.91606
ΔH_f, kcal/mol:	59.65
Dipole, Da:	3.74
IP(EA), eV:	-10.69(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-hydroxy-3-iodo-1-benzothiophen-7-yl)acetic acid

Drug info:

PubChemData

Smile

C1=C(ON=C1)C(C#N)N

DOS

IR

Vibrations