Geometry & MOs

Info

ID:

124873

PubChem CID:

50900755

Reduced:

O6C29H42 (1)

Stoich.:

A6B29C42 (1)

Weight, g/mol:

948.598953

ΔHf, kcal/mol:

-296.11

Dipole, Da:

5.87

IP(EA), eV:

 -9.78(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4,14-bis[4-(dimethylamino)phenyl]-9,19-di(tridecan-7-yl)-3,5,9,13,15,19-hexazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1,3,6,11,14,16,21-heptaene-8,10,18,20-tetrone

Drug info:

PubChemData

Smile

C[C@H](CCC(=C)C(C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)C3=C2C(=O)C[C@@H]4[C@@]3(CC[C@H]([C@]4(C)O)O)C)C

DOS

IR

Vibrations