Geometry & MOs

Info

ID:	396171
PubChem CID:	135027568
Reduced:	ClFSO3H16C21 (1)
Stoich.:	ABCD3E16F21 (1)
Weight, g/mol:	583.533973
ΔH_f, kcal/mol:	-103.14
Dipole, Da:	3.36
IP(EA), eV:	-8.48(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2R)-N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]-2-fluorooctadec-3-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[S@](=O)C2=C(C(=CC=C2)Cl)C3=C(C=CC=C3F)OC(=O)C

DOS

IR

Vibrations