Geometry & MOs

Info

ID:

326459

PubChem CID:

126687600

Reduced:

N3O10C25H39 (1)

Stoich.:

A3B10C25D39 (1)

Weight, g/mol:

901.618017

ΔHf, kcal/mol:

-473.2

Dipole, Da:

3.06

IP(EA), eV:

 -9.58(0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z,7Z,10Z,13Z,16Z,19Z)-N-[(5S)-5-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]-6-oxo-6-[[(2R,3S,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]hexyl]docosa-4,7,10,13,16,19-hexaenamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCC1=CC=CC=C1)C(=O)N[C@@H]2[C@@H](OC([C@H](C2O)O)CO)O

DOS

IR

Vibrations