Geometry & MOs

Info

ID:	373004
PubChem CID:	131308492
Reduced:	BrSO3H7C10 (1)
Stoich.:	ABC3D7E10 (1)
Weight, g/mol:	331.90041
ΔH_f, kcal/mol:	-83.37
Dipole, Da:	4.19
IP(EA), eV:	-8.78(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-formyl-7-iodo-1-benzothiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C(=CS2)Br)C(=C1O)CC(=O)O

DOS

IR

Vibrations