Geometry & MOs

Info

ID:	373475
PubChem CID:	131315893
Reduced:	BrISO2H6C10 (1)
Stoich.:	ABCD2E6F10 (1)
Weight, g/mol:	319.89096
ΔH_f, kcal/mol:	-26.83
Dipole, Da:	4.11
IP(EA), eV:	-9.47(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(C(=CC2=C1SC=C2C(=O)O)I)CBr

DOS

IR

Vibrations