Geometry & MOs

Info

ID:	270083
PubChem CID:	103626444
Reduced:	ClSN2O4C13H17 (1)
Stoich.:	ABC2D4E13F17 (1)
Weight, g/mol:	376.00924
ΔH_f, kcal/mol:	-143.85
Dipole, Da:	4.76
IP(EA), eV:	-9.2(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-[(1-methylpyrrolidin-2-yl)methylsulfamoyl]benzoic acid

Drug info:

PubChemData

Smile

CN1CCCC1CNS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl

DOS

IR

Vibrations