Geometry & MOs

Info

ID:

404157

PubChem CID:

135065238

Reduced:

ZnN8O24C80H96 (1)

Stoich.:

AB8C24D80E96 (1)

Weight, g/mol:

1224.720154

ΔHf, kcal/mol:

-676.38

Dipole, Da:

7.36

IP(EA), eV:

 -8.5(-1.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

magnesium;6,7,15,16,24,25,33,34-octapentoxy-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(OCC(O1)COC2=CC3=C4[N-]C(=C3C=C2OCC5COC(O5)(C)C)N=C6C7=CC(=C(C=C7C(=N6)N=C8C9=CC(=C(C=C9C(=NC1=NC(=N4)C2=CC(=C(C=C21)OCC1COC(O1)(C)C)OCC1COC(O1)(C)C)[N-]8)OCC1COC(O1)(C)C)OCC1COC(O1)(C)C)OCC1COC(O1)(C)C)OCC1COC(O1)(C)C)C.[Zn+2]

DOS

IR

Vibrations