Geometry & MOs

Info

ID:

311606

PubChem CID:

126595471

Reduced:

PF2O9N11C19H22 (1)

Stoich.:

AB2C9D11E19F22 (1)

Weight, g/mol:

596.149274

ΔHf, kcal/mol:

-378.56

Dipole, Da:

15.69

IP(EA), eV:

 -9.12(-1.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R,4R,5R)-2-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-[[(2R,3S,4R,5S)-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinic acid

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(N=N2)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@H]([C@H](O[C@H]4N5C=NC6=C5NC(=NC6=O)N)CO)F)O)F)N

DOS

IR

Vibrations