Geometry & MOs

Info

ID:

427291

PubChem CID:

135156678

Reduced:

ClO7N8H19C20 (1)

Stoich.:

AB7C8D19E20 (1)

Weight, g/mol:

596.129647

ΔHf, kcal/mol:

-123.97

Dipole, Da:

3.62

IP(EA), eV:

 -9.33(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R,4S,5R)-3-benzoyloxy-5-(2-chloro-6-cyclopentylsulfanylpurin-9-yl)-4-fluorooxolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@H]([C@@H](O2)N3C=NC4=C(N=C(N=C43)Cl)N)O)N=[N+]=[N-]

DOS

IR

Vibrations