Geometry & MOs

Info

ID:

11714

PubChem CID:

119623

Reduced:

N2Na3P3C10O14H17 (1)

Stoich.:

A2B3C3D10E14F17 (1)

Weight, g/mol:

550.958572

ΔHf, kcal/mol:

-828.63

Dipole, Da:

7.12

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.762207

Charge, e:

 3

Chem-info

IUPAC name:

trisodium;[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O.[Na+].[Na+].[Na+]

DOS

IR

Vibrations