Geometry & MOs

Info

ID:	303344
PubChem CID:	124489546
Reduced:	BrSN2O3C12H17 (1)
Stoich.:	ABC2D3E12F17 (1)
Weight, g/mol:	348.01433
ΔH_f, kcal/mol:	-89.9
Dipole, Da:	5.33
IP(EA), eV:	-8.85(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-methoxy-N-methyl-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CN([C@@H]1CCNC1)S(=O)(=O)C2=C(C=CC(=C2)Br)OC

DOS

IR

Vibrations