Geometry & MOs

Info

ID:	121651
PubChem CID:	50776071
Reduced:	FSN3O3C22H28 (1)
Stoich.:	ABC3D3E22F28 (1)
Weight, g/mol:	453.266128
ΔH_f, kcal/mol:	-128.73
Dipole, Da:	5.3
IP(EA), eV:	-9.32(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-propan-2-yloxypropyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC(CN(CCC(=O)N1CCNCC1)S(=O)(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3

DOS

IR

Vibrations