Geometry & MOs

Info

ID:

24847

PubChem CID:

613900

Reduced:

Si3O16C44H68 (1)

Stoich.:

A3B16C44D68 (1)

Weight, g/mol:

936.381516

ΔHf, kcal/mol:

-758.47

Dipole, Da:

3.17

IP(EA), eV:

 -9.5(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dimethyl 12-acetyloxy-6-methyl-14-(2-methylbut-2-enoyloxy)-6-(11-methyl-2-trimethylsilyloxy-5,7,10-trioxatetracyclo[6.3.1.02,6.09,11]dodec-3-en-9-yl)-4,7-bis(trimethylsilyloxy)-3,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadecane-4,11-dicarboxylate

Drug info:

PubChemData

Smile

CC=C(C)C(=O)OC1CC(C2(COC3C2C14COC(C4C(C3O[Si](C)(C)C)(C)C56C7CC(C5(O6)C)C8(C=COC8O7)O[Si](C)(C)C)(C(=O)OC)O[Si](C)(C)C)C(=O)OC)OC(=O)C

DOS

IR

Vibrations