Geometry & MOs

Info

ID:	373407
PubChem CID:	131314753
Reduced:	FSO3H7C10 (1)
Stoich.:	ABC3D7E10 (1)
Weight, g/mol:	331.9368
ΔH_f, kcal/mol:	-130.86
Dipole, Da:	0.52
IP(EA), eV:	-8.6(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-iodo-6-methyl-1-benzothiophen-7-yl)acetic acid

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC2=C1SC=C2O)F

DOS

IR

Vibrations