Geometry & MOs

Info

ID:	158690
PubChem CID:	56464868
Reduced:	ClSN3O3C21H26 (1)
Stoich.:	ABC3D3E21F26 (1)
Weight, g/mol:	436.214427
ΔH_f, kcal/mol:	-82.38
Dipole, Da:	5.67
IP(EA), eV:	-8.51(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-[cyclopropyl(methyl)amino]propyl]-4-oxobutanamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(C2=CC=CC=C2)NC(=O)CS(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations