Geometry & MOs

Info

ID:

397530

PubChem CID:

135030345

Reduced:

O3C22H25 (2)

Stoich.:

A3B22C25 (2)

Weight, g/mol:

1050.377962

ΔHf, kcal/mol:

-177.31

Dipole, Da:

2.7

IP(EA), eV:

 -9.2(0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)O[C@H]4C(C([C@@H](C(O4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8

DOS

IR

Vibrations