Geometry & MOs

Info

ID:	124278
PubChem CID:	50876942
Reduced:	BrSCl2N2O2C12H15 (1)
Stoich.:	ABC2D2E2F12G15 (1)
Weight, g/mol:	461.95712
ΔH_f, kcal/mol:	-62.83
Dipole, Da:	4.66
IP(EA), eV:	-8.7(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-4-(2-bromo-4,5-dichlorophenyl)sulfonylpiperazine

Drug info:

PubChemData

Smile

CCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2Br)Cl)Cl

DOS

IR

Vibrations