Geometry & MOs

Info

ID:	303253
PubChem CID:	124489418
Reduced:	BrSN2O3C13H19 (1)
Stoich.:	ABC2D3E13F19 (1)
Weight, g/mol:	272.099477
ΔH_f, kcal/mol:	-94.96
Dipole, Da:	6.4
IP(EA), eV:	-9.05(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-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)OC)Br

DOS

IR

Vibrations