Geometry & MOs

Info

ID:

408380

PubChem CID:

135081146

Reduced:

ON2H13C18 (4)

Stoich.:

AB2C13D18 (4)

Weight, g/mol:

1526.46131

ΔHf, kcal/mol:

548.61

Dipole, Da:

9.15

IP(EA), eV:

 -8.17(-2.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

zinc;15,16-dibromo-6,7,24,25,33,34-hexakis(4-tert-butylphenyl)-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-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31(36),32,34-nonadecaene

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)OC2=CC3=C(C=C2)C4=NC3=NC5=C6C=C(C=CC6=C(N5)N=C7C8=C9C(=CC=C8)OC1=C(C2=CC=CC=C2C=C1)C1=C(C=CC2=CC=CC=C21)OC1=CC=CC2=C1C(=NC9=N7)NC2=N4)OC1=CC=C(C=C1)C(C)(C)C

DOS

IR

Vibrations