Geometry & MOs

Info

ID:

405653

PubChem CID:

135074861

Reduced:

N2O5Cl6C26H28 (1)

Stoich.:

A2B5C6D26E28 (1)

Weight, g/mol:

660.009988

ΔHf, kcal/mol:

-152.02

Dipole, Da:

8.43

IP(EA), eV:

 -9.12(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(E,2S,3R)-1-[(4-methoxyphenyl)methoxy]-5-methyl-6-phenylmethoxy-3-(2,2,2-trichloroethanimidoyl)oxyhex-4-en-2-yl] 2,2,2-trichloroethanimidate

Drug info:

PubChemData

Smile

C/C(=C\[C@@H]([C@H](COCC1=CC=C(C=C1)OC)OC(=N)C(Cl)(Cl)Cl)OC(=N)C(Cl)(Cl)Cl)/COCC2=CC=CC=C2

DOS

IR

Vibrations