Geometry & MOs

Info

ID:

220687

PubChem CID:

85202785

Reduced:

ClFN2O5C17H28 (1)

Stoich.:

ABC2D5E17F28 (1)

Weight, g/mol:

697.266294

ΔHf, kcal/mol:

-208.26

Dipole, Da:

3.59

IP(EA), eV:

 -4.91(0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-(2-cyanoethoxy)phosphinothioyl]oxypropanenitrile

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)[N+]23CC[N+](CC2)(CC3)CCl)F)OC(=O)C)OC(=O)C

DOS

IR

Vibrations