Geometry & MOs

Info

ID:

380170

PubChem CID:

134970519

Reduced:

NCl3O10H28C36 (1)

Stoich.:

AB3C10D28E36 (1)

Weight, g/mol:

433.0098

ΔHf, kcal/mol:

-292.75

Dipole, Da:

5.75

IP(EA), eV:

 -10.02(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,6S)-4,5-diacetyloxy-2-methyl-6-(2,2,2-trichloroethanimidoyl)oxyoxan-3-yl] acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)OCC2[C@@H](C(C([C@@H](O2)OC(=N)C(Cl)(Cl)Cl)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

DOS

IR

Vibrations