Geometry & MOs

Info

ID:	270082
PubChem CID:	103626301
Reduced:	BrON2C16H21 (1)
Stoich.:	ABC2D16E21 (1)
Weight, g/mol:	332.059756
ΔH_f, kcal/mol:	29.57
Dipole, Da:	2.19
IP(EA), eV:	-8.57(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCCC1CNCC2=C(C=CC(=C2)Br)OCC#C

DOS

IR

Vibrations