Geometry & MOs

Info

ID:

408052

PubChem CID:

135080807

Reduced:

ZnN8O9C118H134 (1)

Stoich.:

AB8C9D118E134 (1)

Weight, g/mol:

1810.046383

ΔHf, kcal/mol:

169.74

Dipole, Da:

5.74

IP(EA), eV:

 -8.09(-2.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6,7,15,16,24,25-hexakis[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-35-oxa-2,11,20,29,40,41,42,43-octazadecacyclo[28.9.1.13,10.112,19.121,28.04,9.013,18.022,27.031,39.033,37]tritetraconta-1,3(43),4,6,8,10,12,14,16,18,20,22,24,26,28(41),29,31,33(37),38-nonadecaene-34,36-dione

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OC2=CC3=C4[N-]C(=C3C=C2OC5=CC=C(C=C5)C(C)(C)CC(C)(C)C)N=C6C7=CC(=C(C=C7C(=N6)N=C8C9=CC1=C(C=C9C(=NC2=NC(=N4)C3=CC(=C(C=C32)OC2=CC=C(C=C2)C(C)(C)CC(C)(C)C)OC2=CC=C(C=C2)C(C)(C)CC(C)(C)C)[N-]8)C(=O)OC1=O)OC1=CC=C(C=C1)C(C)(C)CC(C)(C)C)OC1=CC=C(C=C1)C(C)(C)CC(C)(C)C.[Zn+2]

DOS

IR

Vibrations