Geometry & MOs

Info

ID:	153239
PubChem CID:	56312402
Reduced:	SO2N3C24H27 (1)
Stoich.:	AB2C3D24E27 (1)
Weight, g/mol:	464.278741
ΔH_f, kcal/mol:	-11.41
Dipole, Da:	4.93
IP(EA), eV:	-8.78(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=CSC(=N3)C4=CC(=CC=C4)OC

DOS

IR

Vibrations