Geometry & MOs

Info

ID:	373634
PubChem CID:	131318096
Reduced:	ISO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	347.93171
ΔH_f, kcal/mol:	-74.54
Dipole, Da:	6.39
IP(EA), eV:	-8.77(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=C2C(=C1)C=CS2)CC(=O)O)I

DOS

IR

Vibrations