Geometry & MOs

Info

ID:

404156

PubChem CID:

135065237

Reduced:

S4N8O8H37C44 (2)

Stoich.:

A4B8C8D37E44 (2)

Weight, g/mol:

1616.582888

ΔHf, kcal/mol:

37.78

Dipole, Da:

13.54

IP(EA), eV:

 -7.37(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

zinc;6,7,15,16,24,25,33,34-octakis[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-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),31,33,35-nonadecaene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C4NC(=C3C=C2NS(=O)(=O)C5=CC=C(C=C5)C)N=C6C7=CC(=C(C=C7C(=N6)N=C8C9=CC(=C(C=C9C(=NC1=NC(=N4)C2=CC(=C(C=C21)NS(=O)(=O)C1=CC=C(C=C1)C)NS(=O)(=O)C1=CC=C(C=C1)C)N8)NS(=O)(=O)C1=CC=C(C=C1)C)NS(=O)(=O)C1=CC=C(C=C1)C)NS(=O)(=O)C1=CC=C(C=C1)C)NS(=O)(=O)C1=CC=C(C=C1)C

DOS

IR

Vibrations