Geometry & MOs

Info

ID:

16653

PubChem CID:

474410

Reduced:

FPN10O10C31H32 (1)

Stoich.:

ABC10D10E31F32 (1)

Weight, g/mol:

754.202452

ΔHf, kcal/mol:

-363.3

Dipole, Da:

9.08

IP(EA), eV:

 -9.05(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-5-[6-(naphthalen-2-ylmethylamino)purin-9-yl]oxolan-3-yl] hydrogen phosphate

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)CNC3=C4C(=NC=N3)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)N7C=NC8=C7NC(=NC8=O)N)O)O)F

DOS

IR

Vibrations