Geometry & MOs

Info

ID:

325766

PubChem CID:

126684849

Reduced:

O3N4C26H31 (2)

Stoich.:

A3B4C26D31 (2)

Weight, g/mol:

642.440996

ΔHf, kcal/mol:

-105.5

Dipole, Da:

4.83

IP(EA), eV:

 -8.57(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(5-azaspiro[2.4]heptan-6-yl)-6-[(1S,4R,7S,10R)-11-[2-[(6S)-5-azaspiro[2.4]heptan-6-yl]-3H-benzimidazol-5-yl]-5-tricyclo[8.2.2.24,7]hexadecanyl]-1H-benzimidazole

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C#CC3=C4CCC5=CC(=C(CCC(=C3)C=C4)C=C5)C#CC6=CN=C(N6)[C@@H]7C[C@@H]8CCCC[C@@H]8N7C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)OC

DOS

IR

Vibrations