Geometry & MOs

Info

ID:

407901

PubChem CID:

135080656

Reduced:

N4C20H27 (6)

Stoich.:

A4B20C27 (6)

Weight, g/mol:

1595.932965

ΔHf, kcal/mol:

534.96

Dipole, Da:

4.56

IP(EA), eV:

 -8.12(-2.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

zinc;5,8,14,17,23,26,32,35-octachloro-6,7,15,16,24,25,33,34-octapyridin-3-yloxy-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

CCCCCCCCC1=NN(C=C1)C2=CC3=C4NC(=C3C=C2N5C=CC(=N5)CCCCCCCC)N=C6C7=CC(=C(C=C7C(=N6)N=C8C9=CC(=C(C=C9C(=NC1=NC(=N4)C2=CC(=C(C=C21)N1C=CC(=N1)CCCCCCCC)N1C=CC(=N1)CCCCCCCC)N8)N1C=CC(=N1)CCCCCCCC)N1C=CC(=N1)CCCCCCCC)N1C=CC(=N1)CCCCCCCC)N1C=CC(=N1)CCCCCCCC

DOS

IR

Vibrations