Geometry & MOs

Info

ID:

231939

PubChem CID:

87574959

Reduced:

OCl2N2H20C22 (1)

Stoich.:

AB2C2D20E22 (1)

Weight, g/mol:

1341.403531

ΔHf, kcal/mol:

33.83

Dipole, Da:

4.51

IP(EA), eV:

 -8.34(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,3S,4R,5R,6R)-3,4,5-triacetyloxy-6-[3-[2-(isothiocyanatomethyl)-3-[3-[(2R,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)thian-2-yl]propoxy]-2-[3-[(2R,3S,4R,5S,6S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)thian-2-yl]propoxymethyl]propoxy]propyl]thian-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC(=C1)C2=CC=C(C=C2)C(C=O)(C3=CC(=C(C=C3)Cl)Cl)N

DOS

IR

Vibrations