Geometry & MOs

Info

ID:	158342
PubChem CID:	56463443
Reduced:	BrON4C22H25 (1)
Stoich.:	ABC4D22E25 (1)
Weight, g/mol:	430.203862
ΔH_f, kcal/mol:	25.05
Dipole, Da:	1.32
IP(EA), eV:	-8.23(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(methanesulfonamido)-4-methyl-N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]benzamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(C2=CC=CC=C2)NC(=O)C3=C(C4=CC=CC=C4N3)Br

DOS

IR

Vibrations