Geometry & MOs

Info

ID:	158460
PubChem CID:	56463702
Reduced:	ClOSN6C23H27 (1)
Stoich.:	ABCD6E23F27 (1)
Weight, g/mol:	437.24269
ΔH_f, kcal/mol:	57.69
Dipole, Da:	8.6
IP(EA), eV:	-8.61(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-diacetamido-N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]benzamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(C2=CC=CC=C2)NC(=O)CSC3=NN=CN3C4=CC(=CC=C4)Cl

DOS

IR

Vibrations