Geometry & MOs

Info

ID:	55008
PubChem CID:	17389652
Reduced:	ClNO2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	249.92576
ΔH_f, kcal/mol:	-73.85
Dipole, Da:	2.66
IP(EA), eV:	-9.67(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

potassium;6-chloro-1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

C1CNC([C@H]1C(=O)O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations