Geometry & MOs

Info

ID:

127820

PubChem CID:

51017650

Reduced:

NSiO5C26H33 (1)

Stoich.:

ABC5D26E33 (1)

Weight, g/mol:

3122.809574

ΔHf, kcal/mol:

-161.03

Dipole, Da:

2.77

IP(EA), eV:

 -9.26(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,3S,5S,6R,8S,10S,11R,13S,15S,16R,18S,20S,21R,23S,25S,26R,28S,30S,31R,33S,35S,36R,38S,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R,50R,51R,52S,53R,54S,55R,56S)-42,44,46,48,50,52,54,56-octakis[[tert-butyl(dimethyl)silyl]oxy]-5,10,15,20,25,30,35,40-octakis[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane-41,43,45,47,49,51,53,55-octol

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O[C@@H]3[C@@H]4CO[C@@H](O4)[C@H]5[C@@]3(C(=C)CO5)NOC

DOS

IR

Vibrations