Geometry & MOs

Info

ID:

382399

PubChem CID:

134973532

Reduced:

IO10C60H61 (1)

Stoich.:

AB10C60D61 (1)

Weight, g/mol:

1068.33095

ΔHf, kcal/mol:

-241.67

Dipole, Da:

2.68

IP(EA), eV:

 -9.02(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-iodo-4,6-bis[(2R,5S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]benzene-1,3-diol

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