Geometry & MOs

Info

ID:	303340
PubChem CID:	124489540
Reduced:	BrClSN2O3C12H16 (1)
Stoich.:	ABCD2E3F12G16 (1)
Weight, g/mol:	381.97535
ΔH_f, kcal/mol:	-97.34
Dipole, Da:	2.47
IP(EA), eV:	-9.4(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-chloro-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)Cl)Br)OC

DOS

IR

Vibrations