Geometry & MOs

Info

ID:	375166
PubChem CID:	131472741
Reduced:	BrSO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	299.94558
ΔH_f, kcal/mol:	-97.4
Dipole, Da:	5.2
IP(EA), eV:	-9.18(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(bromomethyl)-7-hydroxy-1-benzothiophen-3-yl]acetic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1CBr)SC(=C2CC(=O)O)O

DOS

IR

Vibrations