Geometry & MOs

Info

ID:

222158

PubChem CID:

85294823

Reduced:

Si2O6C38H63 (2)

Stoich.:

A2B6C38D63 (2)

Weight, g/mol:

1362.618589

ΔHf, kcal/mol:

-790.89

Dipole, Da:

4.64

IP(EA), eV:

 -8.78(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[[3-benzoyloxy-4-[5-(2,2-dimethylpropanoyloxymethyl)-3-hydroxy-4-phenylmethoxyoxolan-2-yl]oxy-5-[[5-(2,2-dimethylpropanoyloxymethyl)-3-hydroxy-4-phenylmethoxyoxolan-2-yl]oxymethyl]oxolan-2-yl]oxymethyl]-2-(9-methoxy-9-oxononoxy)-4-phenylmethoxyoxolan-3-yl] benzoate

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)OC1CC(OC2(C1)CC(CC(O2)CC(=C)C(C)C(C(C)C(=O)CC3CC(CC4(O3)CC(CC(O4)COC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)O[Si](C)(C)C(C)(C)C)OC)O)(C)O[Si](CC)(CC)CC)CCO[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations