Geometry & MOs

Info

ID:

381548

PubChem CID:

134972316

Reduced:

NO2H6C9 (2)

Stoich.:

AB2C6D9 (2)

Weight, g/mol:

938.290332

ΔHf, kcal/mol:

-65.49

Dipole, Da:

3.88

IP(EA), eV:

 -9.42(-2.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,6R)-4,5-diacetyloxy-6-[2-acetyloxy-2-[(2S,5R)-3,4-diacetyloxy-5-methoxyoxolan-2-yl]ethoxy]-3-[(2R,5R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CCOC(=O)N1C2=CC=CC=C2C3=C1C(=O)C4=C(C3=O)C=NC=C4

DOS

IR

Vibrations