Geometry & MOs

Info

ID:

386517

PubChem CID:

134982014

Reduced:

NaO6C31H49 (1)

Stoich.:

AB6C31D49 (1)

Weight, g/mol:

564.24957

ΔHf, kcal/mol:

-360.28

Dipole, Da:

5.04

IP(EA), eV:

 -8.65(0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl-[(1R,2S,5S)-2-(dimethoxymethyl)-5-[(3Z,7E)-8-iodo-3,7-dimethylocta-3,7-dienyl]-5-methylcyclohexyl]oxy-dimethylsilane

Drug info:

PubChemData

Smile

CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C\CCCC(=O)[O-])/C2)OC3CCCCO3)OC4CCCCO4.[Na+]

DOS

IR

Vibrations