Geometry & MOs

Info

ID:

404457

PubChem CID:

135066413

Reduced:

N4O4Si4C84H89 (2)

Stoich.:

A4B4C4D84E89 (2)

Weight, g/mol:

1120.288652

ΔHf, kcal/mol:

-34.21

Dipole, Da:

12.03

IP(EA), eV:

 -8.1(-2.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

zinc;6,7,15,16,24,25,33,34-octakis(prop-2-ynoxymethyl)-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

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC3=CC4=C(C=C3CO[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)C7=NC8=NC(=NC9=C1C=C(C(=CC1=C(N9)N=C1C2=C(C=C(C(=C2)CO[Si](C2=CC=CC=C2)(C2=CC=CC=C2)C(C)(C)C)CO[Si](C2=CC=CC=C2)(C2=CC=CC=C2)C(C)(C)C)C(=N1)N=C4N7)CO[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C(C)(C)C)CO[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C(C)(C)C)C1=C8C=C(C(=C1)CO[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C(C)(C)C)CO[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C(C)(C)C

DOS

IR

Vibrations