Geometry & MOs

Info

ID:

318685

PubChem CID:

126652704

Reduced:

FO7C28H30 (2)

Stoich.:

AB7C28D30 (2)

Weight, g/mol:

946.486215

ΔHf, kcal/mol:

-625.68

Dipole, Da:

4.07

IP(EA), eV:

 -9.24(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

26-N,26-N,30-N-tris(4-tert-butylphenyl)-30-N-phenyl-28-oxaoctacyclo[22.11.0.02,11.03,8.012,17.018,23.027,35.029,34]pentatriaconta-1(35),2(11),3,5,7,9,12,14,16,18,20,22,24,26,29(34),30,32-heptadecaene-26,30-diamine

Drug info:

PubChemData

Smile

C=CC(=O)OCCCCOC(=O)CCC1=CC(=C(C=C1)C2=CC=C(C=C2)CCC(=O)O[C@@H]3CO[C@H]4[C@@H]3OC[C@@H]4OC(=O)CCC5=CC=C(C=C5)C6=C(C=C(C=C6)CCC(=O)OCCCCOC(=O)C=C)F)F

DOS

IR

Vibrations