Geometry & MOs

Info

ID:

47568

PubChem CID:

10534479

Reduced:

N2O11S16C45H52 (1)

Stoich.:

A2B11C16D45E52 (1)

Weight, g/mol:

1309.448349

ΔHf, kcal/mol:

-173.23

Dipole, Da:

6.26

IP(EA), eV:

 -7.87(-2.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R,4S,5R,6R)-3-[3-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-[[(2R,3R,4S,5R,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]oxan-2-yl]oxypropoxy]-4,5-diacetyloxy-6-prop-2-enoxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CSC1=C2SCCOCCOCCSC3=C(S/C(=C\4/SC(=C(S4)SCCOCCN5C(=O)C6=C(C5=O)C=C7C(=C6)C(=O)N(C7=O)CCOCCO)SCCOCCOCCSC8=C(S/C(=C(/S2)\S1)/S8)SC)/S3)SC

DOS

IR

Vibrations