Geometry & MOs

Info

ID:

384783

PubChem CID:

134977662

Reduced:

SiCo2O9C25H26 (1)

Stoich.:

AB2C9D25E26 (1)

Weight, g/mol:

330.165121

ΔHf, kcal/mol:

-313.57

Dipole, Da:

31.79

IP(EA), eV:

 -9.06(-6.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,4Z,8R)-1-[tert-butyl(dimethyl)silyl]oxy-8-hydroxybicyclo[7.3.1]tridec-4-en-2,6-diyn-13-one

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O[C@@]12CCCC(C1=O)[C@H](C#C/C=C\C#C2)O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]

DOS

IR

Vibrations