Geometry & MOs

Info

ID:

382350

PubChem CID:

134973442

Reduced:

SN2O17C34H38 (1)

Stoich.:

AB2C17D34E38 (1)

Weight, g/mol:

546.140712

ΔHf, kcal/mol:

-678.06

Dipole, Da:

4.78

IP(EA), eV:

 -9.68(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,6R)-3,4,5-triacetyloxy-6-[2-(4-methylphenyl)sulfonyloxyethoxy]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCC1[C@H](C(C([C@@H](O1)SC2=CC(=C(C=C2)C#N)C#N)OC(=O)C)OC(=O)C)O[C@H]3C(C([C@@H](C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations