Geometry & MOs

Info

ID:

127490

PubChem CID:

51003935

Reduced:

N2O4C13H20 (1)

Stoich.:

A2B4C13D20 (1)

Weight, g/mol:

1645.739111

ΔHf, kcal/mol:

-145.59

Dipole, Da:

7.5

IP(EA), eV:

 -9.79(0.43)

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,36S,37S,38S,39S,40S,41S,42S,43S,44S,45S,46S,47R,48S,49S)-5,10,15,20,25,30,35-heptakis[(1,3-dihydroxypropan-2-ylamino)methyl]-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-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol

Drug info:

PubChemData

Smile

CCO[C@@H]1C[C@]2(N(C(=O)[C@@]1(O2)C(=O)NCC=C)C)C

DOS

IR

Vibrations