Geometry & MOs

Info

ID:

47542

PubChem CID:

10534029

Reduced:

N4Si4O9C51H86 (1)

Stoich.:

A4B4C9D51E86 (1)

Weight, g/mol:

1020.503715

ΔHf, kcal/mol:

-517.88

Dipole, Da:

4.15

IP(EA), eV:

 -8.78(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[25,26,27,28-tetrakis(2-ethoxyethoxy)-11,17,23-tripyridin-4-yl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]pyridine

Drug info:

PubChemData

Smile

CC1(N([C@H](CO1)[C@H](CC#C[C@]2([C@@H]([C@H]([C@H]([C@H](O2)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N=[N+]=[N-])O)O[Si](C)(C)C)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations