Geometry & MOs

Info

ID:

407966

PubChem CID:

135080721

Reduced:

ZnH4N8F28C40 (1)

Stoich.:

AB4C8D28E40 (1)

Weight, g/mol:

1130.026831

ΔHf, kcal/mol:

-984.81

Dipole, Da:

7.32

IP(EA), eV:

 -8.93(-3.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5,14,23,32-tetrafluoro-6,7,15,16,24,25,33,34-octakis(trifluoromethyl)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28(38),29,31,33,35-nonadecaene

Drug info:

PubChemData

Smile

C1=C2C(=C(C(=C1C(F)(F)F)C(F)(F)F)F)C3=NC4=NC(=NC5=C6C=C(C(=C(C6=C([N-]5)N=C7C8=CC(=C(C(=C8C(=N7)N=C2[N-]3)F)C(F)(F)F)C(F)(F)F)F)C(F)(F)F)C(F)(F)F)C9=C(C(=C(C=C94)C(F)(F)F)C(F)(F)F)F.[Zn+2]

DOS

IR

Vibrations