Geometry & MOs

Info

ID:	293681
PubChem CID:	117396620
Reduced:	FNSO2C12H16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	257.088578
ΔH_f, kcal/mol:	-116.78
Dipole, Da:	5.16
IP(EA), eV:	-9.29(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluoro-2-methylsulfonylphenyl)-2-methylpyrrolidine

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC(=CC(=C1)F)C2CCCCN2

DOS

IR

Vibrations