Geometry & MOs

Info

ID:

176366

PubChem CID:

76038359

Reduced:

Si2Cl3N5O5C35H48 (1)

Stoich.:

A2B3C5D5E35F48 (1)

Weight, g/mol:

849.145061

ΔHf, kcal/mol:

-246.15

Dipole, Da:

1.92

IP(EA), eV:

 -8.69(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-(2,3,4,5,6-pentachlorophenoxy)-6-phenylmethoxypurin-2-amine

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCC1C(CC(O1)N2C3=C(C(=NC(=N3)N)OCC4=CC=CC=C4)N=C2OC5=C(C=C(C=C5Cl)Cl)Cl)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations