Geometry & MOs

Info

ID:

15862

PubChem CID:

453860

Reduced:

SSi2N6O7C44H58 (1)

Stoich.:

AB2C6D7E44F58 (1)

Weight, g/mol:

870.362622

ΔHf, kcal/mol:

-252.0

Dipole, Da:

9.57

IP(EA), eV:

 -8.69(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-6-amine

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC[C@@H]1C2([C@H]([C@@H](O1)N3C=NC4=C(N=CN=C43)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=C(C=C7)OC)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N

DOS

IR

Vibrations