Geometry & MOs

Info

ID:

84203

PubChem CID:

49865029

Reduced:

FN5O6C25H28 (1)

Stoich.:

AB5C6D25E28 (1)

Weight, g/mol:

551.198025

ΔHf, kcal/mol:

-218.02

Dipole, Da:

4.92

IP(EA), eV:

 -8.65(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3S,4R,5S)-3-acetyloxy-4-fluoro-5-[6-[(4-fluorophenyl)methylamino]purin-9-yl]-3,4-dimethyloxolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CC(=O)O[C@]1([C@H](O[C@@H]([C@]1(C)F)N2C=NC3=C2N=CN=C3N4CCOCC4)COC(=O)C5=CC=CC=C5)C

DOS

IR

Vibrations