Geometry & MOs

Info

ID:

407969

PubChem CID:

135080724

Reduced:

MgN8O14H68C89 (1)

Stoich.:

AB8C14D68E89 (1)

Weight, g/mol:

1474.501149

ΔHf, kcal/mol:

179.57

Dipole, Da:

11.53

IP(EA), eV:

 -7.08(-2.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

33-[[4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)phenyl]methoxy]-6,7,15,16,24,25-hexakis(4-methoxyphenoxy)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31(36),32,34-nonadecaene

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OC2=CC3=C4[N-]C(=C3C=C2OC5=CC=C(C=C5)OC)N=C6C7=C(C=CC(=C7)OCC8=CC=C(C=C8)OCC9CC1CC9C=C1)C(=N6)N=C1C2=CC(=C(C=C2C(=NC2=NC(=N4)C3=CC(=C(C=C32)OC2=CC=C(C=C2)OC)OC2=CC=C(C=C2)OC)[N-]1)OC1=CC=C(C=C1)OC)OC1=CC=C(C=C1)OC.[Mg+2]

DOS

IR

Vibrations