Geometry & MOs

Info

ID:	310693
PubChem CID:	126584341
Reduced:	SF2O3N4C22H24 (1)
Stoich.:	AB2C3D4E22F24 (1)
Weight, g/mol:	313.130049
ΔH_f, kcal/mol:	-151.52
Dipole, Da:	7.59
IP(EA), eV:	-8.88(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[1-(4-fluoro-2-methylphenyl)ethenyl]phenyl]sulfanylpyrrolidine

Drug info:

PubChemData

Smile

CN[C@H]1CN(CC1F)C(=O)CCNS(=O)(=O)C2=CC=C(C=C2)C3=CNC4=C3C=CC(=C4)F

DOS

IR

Vibrations