Geometry & MOs

Info

ID:	373191
PubChem CID:	131311310
Reduced:	BrSO4H7C10 (1)
Stoich.:	ABC4D7E10 (1)
Weight, g/mol:	301.92484
ΔH_f, kcal/mol:	-128.29
Dipole, Da:	5.09
IP(EA), eV:	-9.07(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-2-hydroxy-1-benzothiophen-4-yl)-2-hydroxyacetic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Br)C(=C(S2)C(C(=O)O)O)O

DOS

IR

Vibrations