Geometry & MOs

Info

ID:

382595

PubChem CID:

134973853

Reduced:

O11C62H64 (1)

Stoich.:

A11B62C64 (1)

Weight, g/mol:

984.444863

ΔHf, kcal/mol:

-306.19

Dipole, Da:

6.46

IP(EA), eV:

 -8.9(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2,6-dihydroxy-3,5-bis[(2R,5S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]phenyl]ethanone

Drug info:

PubChemData

Smile

CC1[C@H](C(C([C@H](O1)C2=CC(=C(C(=C2O)C(=O)C)O)[C@@H]3C(C([C@H](C(O3)C)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9

DOS

IR

Vibrations