Geometry & MOs

Info

ID:	64087
PubChem CID:	29196072
Reduced:	ON2H20C22 (1)
Stoich.:	AB2C20D22 (1)
Weight, g/mol:	503.00813
ΔH_f, kcal/mol:	46.09
Dipole, Da:	4.04
IP(EA), eV:	-9.4(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]benzamide

Drug info:

PubChemData

Smile

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCC5=CC=CC=C5C4

DOS

IR

Vibrations