Geometry & MOs

Info

ID:	9652
PubChem CID:	91992
Reduced:	ClNaH4O4C8 (1)
Stoich.:	ABC4D4E8 (1)
Weight, g/mol:	221.969581
ΔH_f, kcal/mol:	-206.89
Dipole, Da:	7.66
IP(EA), eV:	-10.18(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;2-carboxy-5-chlorobenzoate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)C(=O)[O-])C(=O)O.[Na+]

DOS

IR

Vibrations