Geometry & MOs

Info

ID:

221557

PubChem CID:

85279658

Reduced:

O42C87H134 (1)

Stoich.:

A42B87C134 (1)

Weight, g/mol:

1910.424582

ΔHf, kcal/mol:

-1885.33

Dipole, Da:

6.93

IP(EA), eV:

 -8.52(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,4,5-triacetyloxy-6-[[3,5-diacetyloxy-6-[[3,5-diacetyloxy-6-[(3,4,5,6-tetraacetyloxyoxan-2-yl)methylsulfanyl]-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanyloxan-2-yl]methylsulfanyl]-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanyloxan-2-yl]methylsulfanyl]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC(=O)C45CCC(CC4C6=CCC7C8(CCC(C(C8CCC7(C6(CC5)C)C)(C)C)OC9C(C(C(CO9)O)O)OC1C(C(C(C(O1)C)O)OC1C(C(C(CO1)OC1C(C(C(C(O1)CO)OC1C(C(C(C(O1)CO)O)O)OC(=O)C=CC1=CC(=C(C=C1)OC)OC)O)O)O)O)O)C)(C)C)O)O)O)CO)O)O)O

DOS

IR

Vibrations