Geometry & MOs

Info

ID:	121653
PubChem CID:	50776128
Reduced:	SN3O3C17H27 (1)
Stoich.:	AB3C3D17E27 (1)
Weight, g/mol:	431.08783
ΔH_f, kcal/mol:	-112.33
Dipole, Da:	5.87
IP(EA), eV:	-9.05(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-butyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CCCCN(CCC(=O)N1CCNCC1)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations