Geometry & MOs

Info

ID:

127982

PubChem CID:

51025530

Reduced:

NO3H23C24 (1)

Stoich.:

AB3C23D24 (1)

Weight, g/mol:

1212.286428

ΔHf, kcal/mol:

-54.41

Dipole, Da:

2.77

IP(EA), eV:

 -9.42(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(1R,2S,4S,6S,9R,10S,12S,14S,17R,18S,20S,22S,25R,26S,28S,30S,33R,34S,36S,38S,41R,42S,44S,46S,49S,50S,51S,52S,53S,54R)-50,51,52,53,54-pentakis(carboxymethoxy)-3,5,8,11,13,16,19,21,24,27,29,32,35,37,40,43,45,48-octadecaoxatridecacyclo[42.4.1.14,9.112,17.120,25.128,33.136,41.02,46.06,10.014,18.022,26.030,34.038,42]tetrapentacontan-49-yl]oxy]acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)N1[C@H]2/C(=C\C3=CC=CC=C3)/C(=O)/C(=C/C4=CC=CC=C4)/[C@H]1CC2

DOS

IR

Vibrations