Geometry & MOs

Info

ID:

378339

PubChem CID:

134224417

Reduced:

PF3N3O10C26H33 (1)

Stoich.:

AB3C3D10E26F33 (1)

Weight, g/mol:

516.152234

ΔHf, kcal/mol:

-623.8

Dipole, Da:

6.1

IP(EA), eV:

 -9.67(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

prop-2-ynyl (2S)-2-[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-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]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C(F)(F)F)O)OC3=CC=CC=C3

DOS

IR

Vibrations