Geometry & MOs

Info

ID:	158298
PubChem CID:	56463318
Reduced:	ClSO2N4C23H27 (1)
Stoich.:	ABC2D4E23F27 (1)
Weight, g/mol:	407.257277
ΔH_f, kcal/mol:	-50.72
Dipole, Da:	2.77
IP(EA), eV:	-8.34(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dimethylphenyl)-N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]-4-oxobutanamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(C2=CC=CC=C2)NC(=O)CC3C(=O)NC4=C(S3)C=CC(=C4)Cl

DOS

IR

Vibrations