Geometry & MOs

Info

ID:	303244
PubChem CID:	124489405
Reduced:	BrSN2O3C13H19 (1)
Stoich.:	ABC2D3E13F19 (1)
Weight, g/mol:	306.060505
ΔH_f, kcal/mol:	-96.27
Dipole, Da:	3.75
IP(EA), eV:	-8.8(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations