Geometry & MOs

Info

ID:

408146

PubChem CID:

135080906

Reduced:

N4S4H9O12C16 (2)

Stoich.:

A4B4C9D12E16 (2)

Weight, g/mol:

1399.416983

ΔHf, kcal/mol:

-539.57

Dipole, Da:

5.19

IP(EA), eV:

 -8.96(-3.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

copper;N-[8,15,17,24,26,33,35-heptakis(benzylideneamino)-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(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaen-6-yl]-1-phenylmethanimine

Drug info:

PubChemData

Smile

C1=C(C=C(C2=C1C3=NC4=C5C(=CC(=CC5=C(N4)N=C6C7=C(C=C(C=C7S(=O)(=O)O)S(=O)(=O)O)C(=N6)N=C8C9=C(C=C(C=C9S(=O)(=O)O)S(=O)(=O)O)C(=N8)N=C2N3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

DOS

IR

Vibrations