Geometry & MOs

Info

ID:

378286

PubChem CID:

134224362

Reduced:

PN7O7C24H28 (1)

Stoich.:

AB7C7D24E28 (1)

Weight, g/mol:

518.131499

ΔHf, kcal/mol:

-203.96

Dipole, Da:

2.27

IP(EA), eV:

 -8.57(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

prop-2-ynyl (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)OCC#C)NP(=O)(OC[C@@H]1OC[C@@H](O1)N2C=NC3=C(N=C(N=C32)N)NC4CC4)OC5=CC=CC=C5

DOS

IR

Vibrations