Geometry & MOs

Info

ID:	375102
PubChem CID:	131465955
Reduced:	ISO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	333.91606
ΔH_f, kcal/mol:	-63.92
Dipole, Da:	3.26
IP(EA), eV:	-8.9(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodo-6-methoxy-1-benzothiophene-7-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=C(S2)I)C(=O)OC

DOS

IR

Vibrations