Geometry & MOs

Info

ID:	82584
PubChem CID:	49856211
Reduced:	KMgH5C6O8 (1)
Stoich.:	ABC5D6E8 (1)
Weight, g/mol:	267.950802
ΔH_f, kcal/mol:	-423.26
Dipole, Da:	10.17
IP(EA), eV:	-9.9(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

calcium;sodium;(1S,2S)-1,2-dihydroxypropane-1,2,3-tricarboxylate

Drug info:

PubChemData

Smile

C(C(=O)[O-])[C@]([C@@H](C(=O)[O-])O)(C(=O)[O-])O.[Mg+2].[K+]

DOS

IR

Vibrations