Geometry & MOs

Info

ID:	374803
PubChem CID:	131346288
Reduced:	Cl2N2O2H6C9 (1)
Stoich.:	A2B2C2D6E9 (1)
Weight, g/mol:	259.971021
ΔH_f, kcal/mol:	-51.03
Dipole, Da:	2.45
IP(EA), eV:	-9.6(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-6-fluoro-1-benzothiophen-5-yl)-2-hydroxyacetic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C2=C1NC(=N2)Cl)Cl)CC(=O)O

DOS

IR

Vibrations