Geometry & MOs

Info

ID:	372207
PubChem CID:	131294366
Reduced:	ISO3H7C10 (1)
Stoich.:	ABC3D7E10 (1)
Weight, g/mol:	333.91606
ΔH_f, kcal/mol:	-71.78
Dipole, Da:	1.52
IP(EA), eV:	-8.87(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-hydroxy-6-iodo-1-benzothiophene-5-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CSC2=C1C=CC(=C2O)I

DOS

IR

Vibrations