Geometry & MOs

Info

ID:	153145
PubChem CID:	56312291
Reduced:	SO2N3C27H31 (1)
Stoich.:	AB2C3D27E31 (1)
Weight, g/mol:	434.195405
ΔH_f, kcal/mol:	-28.17
Dipole, Da:	4.5
IP(EA), eV:	-9.09(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CN3CCN(CC3)C(=O)CC4=CC=CC=C4C

DOS

IR

Vibrations