Geometry & MOs

Info

ID:

231918

PubChem CID:

87574909

Reduced:

SN4O5C16H30 (1)

Stoich.:

AB4C5D16E30 (1)

Weight, g/mol:

1341.403531

ΔHf, kcal/mol:

-252.55

Dipole, Da:

8.92

IP(EA), eV:

 -9.14(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2.C(CCN)CC(C(=O)O)N

DOS

IR

Vibrations