Geometry & MOs

Info

ID:

378175

PubChem CID:

134224251

Reduced:

PN3O10C25H34 (1)

Stoich.:

AB3C10D25E34 (1)

Weight, g/mol:

493.125016

ΔHf, kcal/mol:

-485.05

Dipole, Da:

1.84

IP(EA), eV:

 -9.63(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)COP(=O)(N[C@@H](C)C(=O)O[C@@H](C)C(=O)C(C)C)OC3=CC=CC=C3)O

DOS

IR

Vibrations