Geometry & MOs

Info

ID:	371726
PubChem CID:	131271391
Reduced:	ISO3H5C10 (1)
Stoich.:	ABC3D5E10 (1)
Weight, g/mol:	331.90041
ΔH_f, kcal/mol:	-46.53
Dipole, Da:	6.65
IP(EA), eV:	-9.4(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-formyl-3-iodo-1-benzothiophene-4-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations