Geometry & MOs

Info

ID:

378208

PubChem CID:

134224284

Reduced:

PO5N7C26H32 (1)

Stoich.:

AB5C7D26E32 (1)

Weight, g/mol:

518.167884

ΔHf, kcal/mol:

-145.2

Dipole, Da:

2.37

IP(EA), eV:

 -8.45(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

prop-2-enyl (2S)-2-[[[(2S,3R,5S)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OCC=C)N[P@](=O)(OC[C@H]1C[C@H](C=C1)N2C=NC3=C(N=C(N=C32)N)NC4CC4)OC5=CC=CC=C5

DOS

IR

Vibrations