Geometry & MOs

Info

ID:	201520
PubChem CID:	79550543
Reduced:	BrClN2S2O4C10H14 (1)
Stoich.:	ABC2D2E4F10G14 (1)
Weight, g/mol:	262.171499
ΔH_f, kcal/mol:	-135.68
Dipole, Da:	8.05
IP(EA), eV:	-10.16(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-2-methyl-1-(2-methyl-2-methylsulfonylpropyl)piperazine

Drug info:

PubChemData

Smile

CC(C)(CNS(=O)(=O)C1=C(N=CC(=C1)Br)Cl)S(=O)(=O)C

DOS

IR

Vibrations