Geometry & MOs

Info

ID:	303254
PubChem CID:	124489421
Reduced:	FSN2O2C12H17 (1)
Stoich.:	ABC2D2E12F17 (1)
Weight, g/mol:	272.099477
ΔH_f, kcal/mol:	-106.43
Dipole, Da:	3.1
IP(EA), eV:	-8.94(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CNC[C@@H]1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations