Geometry & MOs

Info

ID:

408194

PubChem CID:

135080955

Reduced:

SiZnN10H46C53 (1)

Stoich.:

ABC10D46E53 (1)

Weight, g/mol:

852.383268

ΔHf, kcal/mol:

484.09

Dipole, Da:

12.43

IP(EA), eV:

 -8.29(-2.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tri(propan-2-yl)-[2-[4-(36-propan-2-yl-2,11,20,29,34,36,40,41,42,43-decazadecacyclo[28.9.1.13,10.112,19.121,28.04,9.013,18.022,27.031,39.033,37]tritetraconta-1,3,5,7,9,11,13,15,17,19,21(41),22,24,26,28,30(40),31,33(37),34,38-icosaen-35-yl)phenyl]ethynyl]silane

Drug info:

PubChemData

Smile

CC(C)N1C2=CC3=C4[N-]C(=C3C=C2N=C1C5=CC=C(C=C5)C#C[Si](C(C)C)(C(C)C)C(C)C)N=C6C7=CC=CC=C7C(=N6)N=C8C9=CC=CC=C9C(=NC1=NC(=N4)C2=CC=CC=C21)[N-]8.[Zn+2]

DOS

IR

Vibrations