Geometry & MOs

Info

ID:	64287
PubChem CID:	29198906
Reduced:	FSN3O3C21H24 (1)
Stoich.:	ABC3D3E21F24 (1)
Weight, g/mol:	465.139213
ΔH_f, kcal/mol:	-102.5
Dipole, Da:	4.4
IP(EA), eV:	-8.73(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-4-methylsulfonyl-1-oxo-1-(4-phenylpiperazin-1-yl)butan-2-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1COCCN1[C@H](CNS(=O)(=O)CC2=CC=CC=C2F)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations