Geometry & MOs

Info

ID:

219849

PubChem CID:

85164960

Reduced:

SiO7C35H46 (1)

Stoich.:

AB7C35D46 (1)

Weight, g/mol:

607.278571

ΔHf, kcal/mol:

-256.4

Dipole, Da:

3.81

IP(EA), eV:

 -8.82(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

4-[3-[8-cyclohexyl-2,6-dioxo-1-propyl-7-(2-trimethylsilylethoxymethyl)-5H-purin-7-ium-3-yl]propyl]benzenesulfonyl fluoride

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCC(C(C(C1C(O1)C(=O)OC)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations