Geometry & MOs

Info

ID:

222061

PubChem CID:

85293718

Reduced:

PSiO6C27H37 (1)

Stoich.:

ABC6D27E37 (1)

Weight, g/mol:

516.308704

ΔHf, kcal/mol:

-303.09

Dipole, Da:

3.93

IP(EA), eV:

 -8.79(0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-hydroxy-3-[2-[3-[2-(1-hydroxy-4,6,6-trimethylspiro[2,5-dioxabicyclo[2.2.2]octane-3,6'-oxane]-3'-ylidene)ethyl]-2,2-dimethyl-6-methylidenecyclohexyl]ethylidene]oxolan-2-one

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC(CCCC(=O)OC)C#CCP(=O)(OC)OC

DOS

IR

Vibrations