Geometry & MOs

Info

ID:

223913

PubChem CID:

85335762

Reduced:

P3N6O15C22H24 (1)

Stoich.:

A3B6C15D22E24 (1)

Weight, g/mol:

713.074785

ΔHf, kcal/mol:

-518.04

Dipole, Da:

5.05

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 4.074973

Charge, e:

 0

Chem-info

IUPAC name:

[5-(2,4-dioxo-1,3-diazinan-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-N-[[[5-(2,4-dioxo-1,3-diazinan-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]phosphonamidic acid

Drug info:

PubChemData

Smile

C1=CN=C2C1=CN(C(=O)N2)C3C(C(C(O3)CO[P+](=O)O[P+](=O)O[P+](=O)OCC4C(C(C(O4)N5C=C6C=CN=C6NC5=O)O)O)O)O

DOS

IR

Vibrations