Geometry & MOs

Info

ID:

47522

PubChem CID:

10533808

Reduced:

Si5O7C48H92 (1)

Stoich.:

A5B7C48D92 (1)

Weight, g/mol:

925.27642

ΔHf, kcal/mol:

-597.53

Dipole, Da:

2.11

IP(EA), eV:

 -8.82(0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-[[(2S)-2-sulfanylidene-1,3,2lambda5-oxathiaphospholan-2-yl]oxy]oxolan-2-yl]purin-6-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC[C@H]([C@@H]([C@@H]([C@@H](CO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OCOC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations