Geometry & MOs

Info

ID:

391981

PubChem CID:

135011554

Reduced:

NO2C9H9 (1)

Stoich.:

AB2C9D9 (1)

Weight, g/mol:

1451.475398

ΔHf, kcal/mol:

-46.07

Dipole, Da:

1.15

IP(EA), eV:

-9.77(-0.6)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[(2S,5R)-2-[[(3R,6R)-4-[(2R,5R)-3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,5-bis(phenylmethoxy)-6-(2,2,2-trichloroethanimidoyl)oxyoxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] acetate

Drug info:

PubChemData

Smile

C1C(OC(=N1)C2=CC=CC=C2)O

DOS

IR

Vibrations