Geometry & MOs

Info

ID:

225859

PubChem CID:

87235775

Reduced:

S2O5N6C20H20 (1)

Stoich.:

A2B5C6D20E20 (1)

Weight, g/mol:

940.35945

ΔHf, kcal/mol:

-128.55

Dipole, Da:

4.87

IP(EA), eV:

 -9.09(-1.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

O-trityl 2-[[[(2S,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-3-methyloxolan-2-yl]-hydroxymethoxy]-(benzylamino)oxyphosphoryl]oxy-2-tert-butyl-3-methylhexanethioate

Drug info:

PubChemData

Smile

C1CC(C1)NN2C3=CC=CC=C3C(=O)/C(=C\4/NC5=C(C(=CS5)CNC(=O)N)S(=O)(=O)N4)/C2=O

DOS

IR

Vibrations