Geometry & MOs

Info

ID:

50477

PubChem CID:

12013018

Reduced:

O4H28C31 (2)

Stoich.:

A4B28C31 (2)

Weight, g/mol:

1079.497233

ΔHf, kcal/mol:

-155.96

Dipole, Da:

3.44

IP(EA), eV:

 -9.32(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

diphenyl-[(2R,3R,9R,10R)-3,9,10-tris[hydroxy(diphenyl)methyl]-1,4,8,11-tetraoxadispiro[4.1.47.35]tetradecan-2-yl]methanol;1-(2-methylpropyl)pyridin-2-one

Drug info:

PubChemData

Smile

C1CC2(CC3(C1)O[C@@H]([C@H](O3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)C(C6=CC=CC=C6)(C7=CC=CC=C7)O)O[C@@H]([C@H](O2)C(C8=CC=CC=C8)(C9=CC=CC=C9)O)C(C1=CC=CC=C1)(C1=CC=CC=C1)O

DOS

IR

Vibrations