Geometry & MOs

Info

ID:	158724
PubChem CID:	56465222
Reduced:	OSF3N4C21H25 (1)
Stoich.:	ABC3D4E21F25 (1)
Weight, g/mol:	434.231791
ΔH_f, kcal/mol:	-148.37
Dipole, Da:	3.49
IP(EA), eV:	-8.59(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]butanamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(C2=CC=CC=C2)NC(=O)CSC3=NC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations