Geometry & MOs

Info

ID:

378290

PubChem CID:

134224366

Reduced:

FPSN4O8C24H32 (1)

Stoich.:

ABCD4E8F24G32 (1)

Weight, g/mol:

512.093085

ΔHf, kcal/mol:

-386.18

Dipole, Da:

5.86

IP(EA), eV:

 -9.25(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)C(C)C)OCC(C)(C=O)N[P@](=O)(OC[C@@H]1O[C@@H](CS1)N2C=C(C(=NC2=O)N)F)OC3=CC=CC=C3

DOS

IR

Vibrations