Geometry & MOs

Info

ID:	375164
PubChem CID:	131472738
Reduced:	BrSO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	299.94558
ΔH_f, kcal/mol:	-96.35
Dipole, Da:	5.03
IP(EA), eV:	-8.77(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(bromomethyl)-2-hydroxy-1-benzothiophen-5-yl]acetic acid

Drug info:

PubChemData

Smile

C1=C(C=C2C(=C1CC(=O)O)C(=CS2)O)CBr

DOS

IR

Vibrations