Geometry & MOs

Info

ID:

313130

PubChem CID:

126612113

Reduced:

O5C34H36 (1)

Stoich.:

A5B34C36 (1)

Weight, g/mol:

676.324748

ΔHf, kcal/mol:

-115.53

Dipole, Da:

2.27

IP(EA), eV:

 -9.19(0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[[(2R,4R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane

Drug info:

PubChemData

Smile

CC1=CC=CC=C1O[C@H]2CC([C@@H](C(O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations