Geometry & MOs

Info

ID:	391349
PubChem CID:	135004446
Reduced:	SCl2H9C10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	258.08785
ΔH_f, kcal/mol:	49.7
Dipole, Da:	2.07
IP(EA), eV:	-9.01(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-1-fluoro-2-(4-methylphenyl)ethenyl]sulfanyl-4-methylbenzene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCSC(=C(/C(=C(\SCCC2=CC=CC=C2)/Cl)/Cl)Cl)Cl

DOS

IR

Vibrations