Geometry & MOs

Info

ID:	121648
PubChem CID:	50775972
Reduced:	SN3O3C17H27 (1)
Stoich.:	AB3C3D17E27 (1)
Weight, g/mol:	451.261711
ΔH_f, kcal/mol:	-121.5
Dipole, Da:	4.73
IP(EA), eV:	-9.03(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CCCN(CCC(=O)N1CCNCC1)S(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations