Geometry & MOs

Info

ID:

11858

PubChem CID:

122060

Reduced:

FN2P3C9H14O15 (1)

Stoich.:

AB2C3D9E14F15 (1)

Weight, g/mol:

501.959107

ΔHf, kcal/mol:

-881.69

Dipole, Da:

7.76

IP(EA), eV:

 -10.14(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[(2R,3S,4R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

C1=C(C(=O)NC(=O)N1C2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)F

DOS

IR

Vibrations