Geometry & MOs

Info

ID:

378170

PubChem CID:

134224245

Reduced:

FPN3O8C13H17 (1)

Stoich.:

ABC3D8E13F17 (1)

Weight, g/mol:

499.115594

ΔHf, kcal/mol:

-441.76

Dipole, Da:

1.45

IP(EA), eV:

 -10.22(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2R,3R,4R)-3-fluoro-4-hydroxy-3-methyl-5-[[[[(3S)-2-oxooxolan-3-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C[C@H]1C(=O)OP(=O)(N1)OC[C@@H]2[C@H]([C@@]([C@@H](O2)N3C=CC(=O)NC3=O)(C)F)O

DOS

IR

Vibrations