Geometry & MOs

Info

ID:	375167
PubChem CID:	131472743
Reduced:	BrSO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	299.94558
ΔH_f, kcal/mol:	-98.42
Dipole, Da:	6.23
IP(EA), eV:	-8.83(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(bromomethyl)-7-hydroxy-1-benzothiophen-2-yl]acetic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C2=C1C(=CS2)CC(=O)O)O)CBr

DOS

IR

Vibrations