Geometry & MOs

Info

ID:	209455
PubChem CID:	80675658
Reduced:	BrSN2C9H13 (1)
Stoich.:	ABC2D9E13 (1)
Weight, g/mol:	365.98044
ΔH_f, kcal/mol:	20.86
Dipole, Da:	3.05
IP(EA), eV:	-8.86(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromoethyl)-4-(4-chlorophenyl)sulfonylpiperazine

Drug info:

PubChemData

Smile

C1CCN(C(C1)CBr)C2=NC=CS2

DOS

IR

Vibrations