Geometry & MOs

Info

ID:	226524
PubChem CID:	87457749
Reduced:	ClSO2F3N3H13C20 (1)
Stoich.:	ABC2D3E3F13G20 (1)
Weight, g/mol:	280.24023
ΔH_f, kcal/mol:	-166.31
Dipole, Da:	7.57
IP(EA), eV:	-9.77(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9Z)-octadeca-9,15-dienoic acid

Drug info:

PubChemData

Smile

C1C(=O)N(C(=O)N1CC2=CC(=NC3=CC=CC=C32)Cl)C4=CC=C(C=C4)SC(F)(F)F

DOS

IR

Vibrations