Geometry & MOs

Info

ID:	326473
PubChem CID:	126687635
Reduced:	ON2C6H12 (1)
Stoich.:	AB2C6D12 (1)
Weight, g/mol:	546.330502
ΔH_f, kcal/mol:	21.3
Dipole, Da:	3.88
IP(EA), eV:	-9.2(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-oxo-2-[[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]ethyl]docosa-4,7,10,13,16,19-hexaenamide

Drug info:

PubChemData

Smile

CCCCC(=NC)N=O

DOS

IR

Vibrations