Geometry & MOs

Info

ID:

50475

PubChem CID:

12013016

Reduced:

NO9H69C71 (1)

Stoich.:

AB9C69D71 (1)

Weight, g/mol:

1079.497233

ΔHf, kcal/mol:

-196.02

Dipole, Da:

6.07

IP(EA), eV:

 -8.94(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN1C=CC=CC1=O.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