Geometry & MOs

Info

ID:

336638

PubChem CID:

127255645

Reduced:

CaNNaP2C5O7H13 (1)

Stoich.:

ABCD2E5F7G13 (1)

Weight, g/mol:

694.088721

ΔHf, kcal/mol:

-466.01

Dipole, Da:

6.99

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.706099

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCC(NC(=O)C)(P(=O)(O)O)P(=O)(O)O.[Na].[Ca]

DOS

IR

Vibrations