Geometry & MOs

Info

ID:	243918
PubChem CID:	99300600
Reduced:	Cl2S2N3O3H19C21 (1)
Stoich.:	A2B2C3D3E19F21 (1)
Weight, g/mol:	467.091784
ΔH_f, kcal/mol:	-57.45
Dipole, Da:	3.54
IP(EA), eV:	-9.3(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chlorophenoxy)-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=CC=C2Cl)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations