Geometry & MOs

Info

ID:

185913

PubChem CID:

77368740

Reduced:

N2Si2O3C48H60 (1)

Stoich.:

A2B2C3D48E60 (1)

Weight, g/mol:

744.403013

ΔHf, kcal/mol:

-140.3

Dipole, Da:

4.99

IP(EA), eV:

 -8.96(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[tert-butyl(diphenyl)silyl]oxy-4-[3-[tert-butyl(diphenyl)silyl]oxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

Drug info:

PubChemData

Smile

CCCCCC(C=CC1C2CC(=O)NC2(CC1O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)C#N)O[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C

DOS

IR

Vibrations