Geometry & MOs

Info

ID:	303326
PubChem CID:	124489518
Reduced:	BrFSN2O2C11H14 (1)
Stoich.:	ABCD2E2F11G14 (1)
Weight, g/mol:	332.01941
ΔH_f, kcal/mol:	-96.54
Dipole, Da:	2.59
IP(EA), eV:	-8.99(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N,3-dimethyl-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations