Geometry & MOs

Info

ID:

47459

PubChem CID:

10532919

Reduced:

O21C28H48 (1)

Stoich.:

A21B28C48 (1)

Weight, g/mol:

597.124435

ΔHf, kcal/mol:

-942.6

Dipole, Da:

6.97

IP(EA), eV:

 -10.01(0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

N-[(E)-2-(20-methyl-2,5,8,11,14-pentaoxa-18-tellura-20-azoniatricyclo[13.7.0.017,21]docosa-1(15),16,19,21-tetraen-19-yl)ethenyl]-N-phenylacetamide

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H](CO[C@H]([C@@H]2O)O[C@H]3[C@@H](O[C@H]([C@@H]([C@@H]3O[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)O)O[C@@H]5[C@H]([C@H](CO[C@@H]5OC)O)O)C)O)O)O)O

DOS

IR

Vibrations