Geometry & MOs

Info

ID:

383512

PubChem CID:

134975268

Reduced:

SO5C40H40 (1)

Stoich.:

AB5C40D40 (1)

Weight, g/mol:

806.366613

ΔHf, kcal/mol:

-75.78

Dipole, Da:

5.09

IP(EA), eV:

 -8.7(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,6S)-2-(hydroxymethyl)-6-methoxy-4-phenylmethoxy-5-[(2R,5R,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCC2[C@H](C(C([C@@H](O2)SC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6

DOS

IR

Vibrations