Geometry & MOs

Info

ID:

408051

PubChem CID:

135080806

Reduced:

N4O4C100H145 (2)

Stoich.:

A4B4C100D145 (2)

Weight, g/mol:

1871.959875

ΔHf, kcal/mol:

-383.58

Dipole, Da:

7.92

IP(EA), eV:

 -8.0(-2.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

zinc;6,7,15,16,24,25-hexakis[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-35-oxa-2,11,20,29,41,43-hexaza-40,42-diazanidadecacyclo[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

CCCCCCCCCCCCCCCCOC1=C(C2=CC=CC3=C2C4=C(C=CC=C41)C5=C3C6=NC7=NC(=NC8=C9C1=C2C(=CC=C1)C(=C(C1=CC=CC(=C12)C9=C(N8)N=C1C2=C(C3=C4C(=CC=C3)C(=C(C3=CC=CC2=C34)OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC)C(=N1)N=C5N6)OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC)C1=C7C2=C3C(=CC=C2)C(=C(C2=CC=CC1=C23)OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC

DOS

IR

Vibrations