Geometry & MOs

Info

ID:

380825

PubChem CID:

134971394

Reduced:

SO15C87H90 (1)

Stoich.:

AB15C87D90 (1)

Weight, g/mol:

584.22326

ΔHf, kcal/mol:

-352.52

Dipole, Da:

4.92

IP(EA), eV:

 -8.51(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,6S)-3,4,5-tris(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CO[C@@H]2C(O[C@H](C(C2OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5[C@H](C(C([C@@H](O5)OCC6[C@H](C(C([C@@H](O6)SC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)CO

DOS

IR

Vibrations