Geometry & MOs

Info

ID:

176084

PubChem CID:

75992909

Reduced:

NSO17C18H33 (1)

Stoich.:

ABC17D18E33 (1)

Weight, g/mol:

843.246693

ΔHf, kcal/mol:

-745.39

Dipole, Da:

1.27

IP(EA), eV:

 -10.09(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,4,5-triacetyloxy-6-[4,5-diacetyloxy-2-(acetyloxymethyl)-6-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)methylamino]sulfanyloxan-3-yl]oxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C(C1C(C(C(C(O1)O)NS(=O)(=O)C2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O)O

DOS

IR

Vibrations