Geometry & MOs

Info

ID:	371785
PubChem CID:	131271645
Reduced:	ISO3H7C11 (1)
Stoich.:	ABC3D7E11 (1)
Weight, g/mol:	345.91606
ΔH_f, kcal/mol:	-58.34
Dipole, Da:	4.16
IP(EA), eV:	-9.03(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-hydroxy-6-iodo-1-benzothiophen-2-yl)prop-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1O)C=C(S2)C=CC(=O)O)I

DOS

IR

Vibrations