Geometry & MOs

Info

ID:

48736

PubChem CID:

11528279

Reduced:

SiO24C68H104 (1)

Stoich.:

AB24C68D104 (1)

Weight, g/mol:

1344.649406

ΔHf, kcal/mol:

-1123.57

Dipole, Da:

8.96

IP(EA), eV:

 -7.19(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,6S,9S,15S,21R,24S,27S,33S)-9,27-bis(3-aminopropyl)-3,21-dibenzyl-6,24-bis(2-methylpropyl)-12,30-bis[4-(trifluoromethyl)phenyl]-1,4,7,10,13,19,22,25,28,31-decazatricyclo[31.3.0.015,19]hexatriacontane-2,5,8,11,14,20,23,26,29,32-decone

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[Si](C)(C)C(C)(C)C)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)CCC(=O)C)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)OC(=O)C)OC(=O)C)OC(=O)C)C)C)C)OC1

DOS

IR

Vibrations