Geometry & MOs

Info

ID:	303341
PubChem CID:	124489541
Reduced:	BrClSN2O3C12H16 (1)
Stoich.:	ABCD2E3F12G16 (1)
Weight, g/mol:	297.114713
ΔH_f, kcal/mol:	-96.38
Dipole, Da:	5.65
IP(EA), eV:	-8.93(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-[methyl-[(3R)-pyrrolidin-3-yl]sulfamoyl]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations