Geometry & MOs

Info

ID:	243478
PubChem CID:	99224279
Reduced:	ClS2N4O6C14H21 (1)
Stoich.:	AB2C4D6E14F21 (1)
Weight, g/mol:	458.96889
ΔH_f, kcal/mol:	-153.74
Dipole, Da:	10.27
IP(EA), eV:	-9.13(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1Cl)S(=O)(=O)NCCN2CCN(CC2)S(=O)(=O)C)[N+](=O)[O-]

DOS

IR

Vibrations