Geometry & MOs

Info

ID:

409372

PubChem CID:

135082153

Reduced:

Si4C72H105 (2)

Stoich.:

A4B72C105 (2)

Weight, g/mol:

2598.744528

ΔHf, kcal/mol:

327.68

Dipole, Da:

0.13

IP(EA), eV:

 -8.25(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3E,9E,15E,21E)-26-(3,5-ditert-butylphenyl)-3-[(E)-10-(3,5-ditert-butylphenyl)-5,6-bis[2-tri(propan-2-yl)silylethynyl]dec-5-en-1,3,7,9-tetraynyl]-4,9,10,15,16,21,22-heptakis[2-tri(propan-2-yl)silylethynyl]hexacosa-3,9,15,21-tetraen-1,5,7,11,13,17,19,23,25-nonaynyl]-tri(propan-2-yl)silane

Drug info:

PubChemData

Smile

CC([Si](C(C)C)(C(C)C)C#C/C(=C(/C#C[Si](C(C)C)(C(C)C)C(C)C)\C#CC#C/C(=C(\C#C[Si](C(C)C)(C(C)C)C(C)C)/C#CC#C/C(=C(\C#C[Si](C(C)C)(C(C)C)C(C)C)/C#CC#C/C(=C(\C#C[Si](C(C)C)(C(C)C)C(C)C)/C#CC#CC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)/C#C[Si](C(C)C)(C(C)C)C(C)C)/C#C[Si](C(C)C)(C(C)C)C(C)C)/C#C[Si](C(C)C)(C(C)C)C(C)C)/C#CC#CC2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C)C

DOS

IR

Vibrations