Geometry & MOs

Info

ID:	374255
PubChem CID:	131325871
Reduced:	BrClSO3H6C10 (1)
Stoich.:	ABCD3E6F10 (1)
Weight, g/mol:	319.89096
ΔH_f, kcal/mol:	-88.16
Dipole, Da:	4.92
IP(EA), eV:	-9.45(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C2C=C(SC2=CC(=C1Br)C(C(=O)O)O)Cl

DOS

IR

Vibrations