Geometry & MOs

Info

ID:

340799

PubChem CID:

127263234

Reduced:

K2P2N4C10O11H12 (1)

Stoich.:

A2B2C4D10E11F12 (1)

Weight, g/mol:

548.930346

ΔHf, kcal/mol:

-660.58

Dipole, Da:

25.8

IP(EA), eV:

 -8.89(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

trisodium;[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-oxidophosphoryl] phosphate

Drug info:

PubChemData

Smile

C1=NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)(O)[O-])O)O.[K+].[K+]

DOS

IR

Vibrations