Geometry & MOs

Info

ID:

394361

PubChem CID:

135022839

Reduced:

SO9C55H60 (1)

Stoich.:

AB9C55D60 (1)

Weight, g/mol:

896.395805

ΔHf, kcal/mol:

-238.94

Dipole, Da:

5.2

IP(EA), eV:

 -8.52(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-2-[[(2S,4R,5S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]sulfanylmethyl]-6-methoxy-3,4,5-tris(phenylmethoxy)oxane

Drug info:

PubChemData

Smile

COC1C(C([C@@H](C(O1)COCC2=CC=CC=C2)S[C@H]3C[C@H]([C@@H](C(O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8

DOS

IR

Vibrations