Geometry & MOs

Info

ID:	132333
PubChem CID:	51344687
Reduced:	ClSN2O5H27C29 (1)
Stoich.:	ABC2D5E27F29 (1)
Weight, g/mol:	551.125725
ΔH_f, kcal/mol:	-117.15
Dipole, Da:	5.9
IP(EA), eV:	-8.3(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC(=C(C=C4)OC)Cl

DOS

IR

Vibrations