Geometry & MOs

Info

ID:

146229

PubChem CID:

53655413

Reduced:

PO5C11H13 (2)

Stoich.:

AB5C11D13 (2)

Weight, g/mol:

758.004002

ΔHf, kcal/mol:

-493.02

Dipole, Da:

4.59

IP(EA), eV:

 -9.42(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl] hydrogen phosphate

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1OCCCCP(=O)(O)O)C(=O)C3=C(C2=O)C=C(C=C3)OCCCCP(=O)(O)O

DOS

IR

Vibrations