Geometry & MOs

Info

ID:

433913

PubChem CID:

135174060

Reduced:

FPN3O8C28H33 (1)

Stoich.:

ABC3D8E28F33 (1)

Weight, g/mol:

577.19893

ΔHf, kcal/mol:

-386.9

Dipole, Da:

5.45

IP(EA), eV:

 -9.14(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-3-methyl-5-[[[1-[(4-methylphenyl)methoxy]propan-2-ylamino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1COCC2(CC2)NP(=O)(OC[C@@H]3[C@H]([C@@]([C@@H](O3)N4C=CC(=O)NC4=O)(C)F)O)OC5=CC=CC=C5

DOS

IR

Vibrations