Geometry & MOs

Info

ID:

47470

PubChem CID:

10533064

Reduced:

SiO11C40H60 (1)

Stoich.:

AB11C40D60 (1)

Weight, g/mol:

744.53289

ΔHf, kcal/mol:

-407.87

Dipole, Da:

4.94

IP(EA), eV:

 -9.24(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,4R,5S,8R,9S,12R,13R,18R,21S,22R,25R,26S,29R,30S,33R,34R,39R,42S)-8,13,21,29,34,42-hexamethyl-17,38-dioxanonacyclo[37.3.1.118,22.04,9.05,42.08,12.021,26.025,30.029,33]tetratetracontane-7,16,28,37-tetrone

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)O[C@H]1C[C@]2([C@H]([C@H]3[C@@](CCC[C@]3(COC(=O)C)OC(=O)OC)([C@@H]4[C@@H](C(=C1C)C2(C)C)OC(O4)(C)C)C)OC(=O)C5=CC=CC=C5)O

DOS

IR

Vibrations