Geometry & MOs

Info

ID:

408339

PubChem CID:

135081105

Reduced:

MgN8F40C64 (1)

Stoich.:

AB8C40D64 (1)

Weight, g/mol:

1641.976369

ΔHf, kcal/mol:

-1173.3

Dipole, Da:

11.19

IP(EA), eV:

 -8.21(-3.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4,5,9,10,14,15,19,20-octakis(2,3,4,5,6-pentafluorophenyl)-2,7,12,17,21,22,23,24-octazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene

Drug info:

PubChemData

Smile

C1(=C(C2=NC3=NC(=NC4=C(C(=C([N-]4)N=C5C(=C(C(=N5)N=C1[N-]2)C6=C(C(=C(C(=C6F)F)F)F)F)C7=C(C(=C(C(=C7F)F)F)F)F)C8=C(C(=C(C(=C8F)F)F)F)F)C9=C(C(=C(C(=C9F)F)F)F)F)C(=C3C1=C(C(=C(C(=C1F)F)F)F)F)C1=C(C(=C(C(=C1F)F)F)F)F)C1=C(C(=C(C(=C1F)F)F)F)F)C1=C(C(=C(C(=C1F)F)F)F)F.[Mg+2]

DOS

IR

Vibrations