Geometry & MOs

Info

ID:	375165
PubChem CID:	131472739
Reduced:	BrSO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	299.94558
ΔH_f, kcal/mol:	-98.87
Dipole, Da:	5.36
IP(EA), eV:	-9.26(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(bromomethyl)-2-hydroxy-1-benzothiophen-3-yl]acetic acid

Drug info:

PubChemData

Smile

C1=C2C=C(SC2=CC(=C1CC(=O)O)CBr)O

DOS

IR

Vibrations