Geometry & MOs

Info

ID:	61417
PubChem CID:	26709110
Reduced:	SO3N5C23H23 (1)
Stoich.:	AB3C5D23E23 (1)
Weight, g/mol:	392.07738
ΔH_f, kcal/mol:	7.7
Dipole, Da:	7.44
IP(EA), eV:	-9.14(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-bromo-2-fluoro-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=CC=NN2CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C#N

DOS

IR

Vibrations