Geometry & MOs

Info

ID:	242730
PubChem CID:	99205890
Reduced:	BrNS2O5C15H16 (1)
Stoich.:	ABC2D5E15F16 (1)
Weight, g/mol:	382.240248
ΔH_f, kcal/mol:	-113.51
Dipole, Da:	7.47
IP(EA), eV:	-9.7(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylphenyl)-4-[(3R)-3-[[methyl(propan-2-yl)sulfamoyl]amino]butyl]piperazine

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC(=C(C=C1)Br)S(=O)(=O)N(CC2=CC=CO2)C3CC3

DOS

IR

Vibrations