Geometry & MOs

Info

ID:

394205

PubChem CID:

135022531

Reduced:

O3C13H15 (2)

Stoich.:

A3B13C15 (2)

Weight, g/mol:

734.025638

ΔHf, kcal/mol:

-166.39

Dipole, Da:

7.31

IP(EA), eV:

 -8.33(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,4R,5S,6R)-4,5-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-6-(2,2,2-trichloroethanimidoyl)oxycyclohex-2-en-1-yl] 2,2,2-trichloroethanimidate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C[C@H]2COC(=O)[C@@H]2CC3=CC(=C(C=C3)OCC=C)OC)OCC=C

DOS

IR

Vibrations