Geometry & MOs

Info

ID:	145074
PubChem CID:	53456680
Reduced:	FSN3O3C20H20 (1)
Stoich.:	ABC3D3E20F20 (1)
Weight, g/mol:	384.14788
ΔH_f, kcal/mol:	-95.9
Dipole, Da:	1.53
IP(EA), eV:	-8.47(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[1-(4-chlorophenyl)-3-(4-methylpiperazin-4-ium-1-yl)-3-oxoprop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)NC(=O)C2C(NC(=S)NC2=C)C3=CC=C(C=C3)F

DOS

IR

Vibrations