Geometry & MOs

Info

ID:	391383
PubChem CID:	135004609
Reduced:	FFeSO2H15C18 (1)
Stoich.:	ABCD2E15F18 (1)
Weight, g/mol:	334.067508
ΔH_f, kcal/mol:	16.33
Dipole, Da:	6.74
IP(EA), eV:	-8.27(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-fluoro-2-(4-methylphenyl)sulfonylethenyl]benzoate

Drug info:

PubChemData

Smile

C1=C[CH]C=C1.C1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=C[CH]C=C2)/F.[Fe]

DOS

IR

Vibrations