Geometry & MOs

Info

ID:

384561

PubChem CID:

134977221

Reduced:

F2N2P3C10H11O14 (1)

Stoich.:

A2B2C3D10E11F14 (1)

Weight, g/mol:

491.973614

ΔHf, kcal/mol:

-727.15

Dipole, Da:

6.94

IP(EA), eV:

 -10.08(-2.35)

Spin(Sz, S2):

 None, None

Charge, e:

 -4

Chem-info

IUPAC name:

[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-(phosphonatomethyl)phosphinate

Drug info:

PubChemData

Smile

C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(C(F)(F)P(=O)([O-])[O-])[O-])O)O

DOS

IR

Vibrations