Geometry & MOs

Info

ID:	243477
PubChem CID:	99224278
Reduced:	BrS2N3O4C13H20 (1)
Stoich.:	AB2C3D4E13F20 (1)
Weight, g/mol:	440.059104
ΔH_f, kcal/mol:	-132.51
Dipole, Da:	8.28
IP(EA), eV:	-8.76(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-5-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCN(CC1)CCNS(=O)(=O)C2=CC=CC=C2Br

DOS

IR

Vibrations