Geometry & MOs

Info

ID:	243476
PubChem CID:	99224272
Reduced:	S2N3O6C16H27 (1)
Stoich.:	A2B3C6D16E27 (1)
Weight, g/mol:	425.00786
ΔH_f, kcal/mol:	-221.3
Dipole, Da:	9.62
IP(EA), eV:	-8.69(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1S(=O)(=O)NCCN2CCN(CC2)S(=O)(=O)C)OC)OC

DOS

IR

Vibrations