Geometry & MOs

Info

ID:

186453

PubChem CID:

77435468

Reduced:

Si2O9C48H84 (1)

Stoich.:

A2B9C48D84 (1)

Weight, g/mol:

592.387623

ΔHf, kcal/mol:

-604.77

Dipole, Da:

4.81

IP(EA), eV:

 -8.9(0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[(11-hydroxy-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-18-yl)oxy]morpholin-4-yl]-pyridin-2-ylmethanone

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)OC1C2C(C(CC(O2)C(C(C)(C)O[Si](CC)(CC)CC)OC(=O)C)C)C3(C1(C4CCC5C(C(CCC56C4(C6)CC3)OC(=O)CCC(=O)O)(C)C)C)C

DOS

IR

Vibrations