Geometry & MOs

Info

ID:

178159

PubChem CID:

76286773

Reduced:

N3O3C20H27 (1)

Stoich.:

A3B3C20D27 (1)

Weight, g/mol:

533.965335

ΔHf, kcal/mol:

-89.25

Dipole, Da:

4.6

IP(EA), eV:

 -9.39(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC[C@@H]([C@@H](C1)C(=O)N)NC(=O)C2=NC(=C(C=C2)C3CC3)OCC4CC4

DOS

IR

Vibrations