Geometry & MOs

Info

ID:	233475
PubChem CID:	90944786
Reduced:	ClNF3O4C18H19 (1)
Stoich.:	ABC3D4E18F19 (1)
Weight, g/mol:	408.32396
ΔH_f, kcal/mol:	-327.15
Dipole, Da:	4.5
IP(EA), eV:	-9.5(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-(2-hydroxyethyl)-10-(hydroxymethyl)docosa-7,11,13-trienoic acid

Drug info:

PubChemData

Smile

CCCC(=O)NCOC(=O)C1=C(C2=C(C=CC(=C2)Cl)OC1C(F)(F)F)CC

DOS

IR

Vibrations