Geometry & MOs

Info

ID:

408227

PubChem CID:

135080989

Reduced:

IO2C11H11 (1)

Stoich.:

AB2C11D11 (1)

Weight, g/mol:

720.003559

ΔHf, kcal/mol:

-47.98

Dipole, Da:

1.4

IP(EA), eV:

 -9.23(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

zinc;5,7,14,16,23,25,32,34-octafluoro-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene

Drug info:

PubChemData

Smile

CC(=O)C1=CC2=C(C=C1)OC(C2)CI

DOS

IR

Vibrations