Geometry & MOs

Info

ID:

408041

PubChem CID:

135080796

Reduced:

Cl2O6N10H25C46 (2)

Stoich.:

A2B6C10D25E46 (2)

Weight, g/mol:

2203.566089

ΔHf, kcal/mol:

513.72

Dipole, Da:

9.83

IP(EA), eV:

 -8.3(-2.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

zinc;4-[[7,16,25,34-tetrachloro-5,8,14,17,23,26,32,35-octahexoxy-15,24,33-tris(4-sulfophenoxy)-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]oxy]benzenesulfonic acid

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)OC2=C(C(=C(C3=C2C4=NC5=NC(=NC6=C7C(=C(N6)N=C8C9=C(C(=C(C(=C9Cl)OC1=CN=CC=C1)OC1=CN=CC=C1)OC1=CN=CC=C1)C(=N8)N=C3N4)C(=C(C(=C7Cl)OC1=CN=CC=C1)OC1=CN=CC=C1)OC1=CN=CC=C1)C1=C5C(=C(C(=C1OC1=CN=CC=C1)OC1=CN=CC=C1)OC1=CN=CC=C1)Cl)Cl)OC1=CN=CC=C1)OC1=CN=CC=C1

DOS

IR

Vibrations