Geometry & MOs

Info

ID:

322665

PubChem CID:

126670763

Reduced:

O4H35C37 (2)

Stoich.:

A4B35C37 (2)

Weight, g/mol:

565.177038

ΔHf, kcal/mol:

-69.05

Dipole, Da:

2.66

IP(EA), eV:

 -8.57(0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

S-[(2S,3R,4R,5R)-6-(1,3-dioxoisoindol-2-yl)oxy-2,5-dihydroxy-3,4-bis(phenylmethoxy)hexyl] ethanethioate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC[C@H]([C@H]([C@@H]([C@@H](COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=C(C=C6)OC)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9)OCC1=CC=CC=C1

DOS

IR

Vibrations