Geometry & MOs

Info

ID:

382400

PubChem CID:

134973533

Reduced:

IO10C60H61 (1)

Stoich.:

AB10C60D61 (1)

Weight, g/mol:

1000.439777

ΔHf, kcal/mol:

-238.26

Dipole, Da:

5.22

IP(EA), eV:

 -8.96(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1[C@@H](C(C([C@H](O1)C2=CC(=C(C(=C2O)I)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