Geometry & MOs

Info

ID:

50473

PubChem CID:

12013014

Reduced:

NO9H65C72 (1)

Stoich.:

AB9C65D72 (1)

Weight, g/mol:

1065.481583

ΔHf, kcal/mol:

-142.61

Dipole, Da:

3.21

IP(EA), eV:

 -9.04(-0.35)

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-propan-2-ylpyridin-2-one

Drug info:

PubChemData

Smile

CCCN1C=CC=CC1=O.C1=CC=C(C=C1)C([C@H]2[C@@H](OC(O2)C3=CC=C(C=C3)C4O[C@H]([C@@H](O4)C(C5=CC=CC=C5)(C6=CC=CC=C6)O)C(C7=CC=CC=C7)(C8=CC=CC=C8)O)C(C9=CC=CC=C9)(C1=CC=CC=C1)O)(C1=CC=CC=C1)O

DOS

IR

Vibrations