Geometry & MOs

Info

ID:	152149
PubChem CID:	56311016
Reduced:	SO3N4C23H28 (1)
Stoich.:	AB3C4D23E28 (1)
Weight, g/mol:	437.195071
ΔH_f, kcal/mol:	-96.43
Dipole, Da:	5.44
IP(EA), eV:	-8.99(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=CC=CC=C3SCC(=O)N

DOS

IR

Vibrations