Geometry & MOs

Info

ID:

378201

PubChem CID:

134224277

Reduced:

PF2N4O9C24H31 (1)

Stoich.:

AB2C4D9E24F31 (1)

Weight, g/mol:

553.182531

ΔHf, kcal/mol:

-509.27

Dipole, Da:

7.99

IP(EA), eV:

 -9.7(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-4-methyl-3-oxopentan-2-yl] (2S)-2-[[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O[C@@H](C)C(=O)C(C)C)NP(=O)(OC[C@@H]1[C@H](C([C@@H](O1)N2C=CC(=NC2=O)N)(F)F)O)OC3=CC=CC=C3

DOS

IR

Vibrations