Geometry & MOs

Info

ID:

378284

PubChem CID:

134224360

Reduced:

PO6N7C26H34 (1)

Stoich.:

AB6C7D26E34 (1)

Weight, g/mol:

520.147149

ΔHf, kcal/mol:

-205.56

Dipole, Da:

4.41

IP(EA), eV:

 -8.25(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

prop-2-enyl (2S)-2-[[[(2R,4R)-4-(2-amino-6-oxo-3H-purin-9-yl)-1,3-dioxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OCCOC)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