Geometry & MOs

Info

ID:

127619

PubChem CID:

51008557

Reduced:

ON2C16H22 (2)

Stoich.:

AB2C16D22 (2)

Weight, g/mol:

1975.033286

ΔHf, kcal/mol:

79.43

Dipole, Da:

37.09

IP(EA), eV:

 -3.38(-1.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,3S,5S,6R,8R,10S,11R,13S,15S,16R,18S,20S,21R,23S,25S,26R,28S,30S,31R,33S,35S,36S,37S,38S,39S,40S,41S,42S,43S,44S,45R,46S,47S,48R,49R)-48-(2-aminoethylamino)-5,10,15,20,25,30,35-heptakis[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,49-tridecol

Drug info:

PubChemData

Smile

C[N+]1([C@@H]2CC[C@@H]1CN(C2)C(=O)CCC(=O)N3C[C@H]4CC[C@@H](C3)[N+]4(C)CC5=CC=CC=C5)CC6=CC=CC=C6

DOS

IR

Vibrations