Geometry & MOs

Info

ID:	82582
PubChem CID:	49856209
Reduced:	ClNPO5C6H12 (1)
Stoich.:	ABCD5E6F12 (1)
Weight, g/mol:	283.924739
ΔH_f, kcal/mol:	-72.7
Dipole, Da:	7.8
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.794942
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=CCN.C1C(O1)CCl.[O-]P(=O)([O-])[O-]

DOS

IR

Vibrations