Geometry & MOs

Info

ID:	249446
PubChem CID:	103089471
Reduced:	FSCl2N3O3C11H14 (1)
Stoich.:	ABC2D3E3F11G14 (1)
Weight, g/mol:	232.124549
ΔH_f, kcal/mol:	-127.37
Dipole, Da:	4.58
IP(EA), eV:	-9.22(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylsulfanylbutyl)piperazine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C/C(=N/O)/N)NS(=O)(=O)C1=C(C(=C(C=C1)Cl)F)Cl

DOS

IR

Vibrations