Geometry & MOs

Info

ID:	373192
PubChem CID:	131311315
Reduced:	BrSO4H7C10 (1)
Stoich.:	ABC4D7E10 (1)
Weight, g/mol:	301.92484
ΔH_f, kcal/mol:	-124.57
Dipole, Da:	6.98
IP(EA), eV:	-9.55(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-7-hydroxy-1-benzothiophen-3-yl)-2-hydroxyacetic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C2=C1SC(=C2)O)C(C(=O)O)O)Br

DOS

IR

Vibrations