Geometry & MOs

Info

ID:	158097
PubChem CID:	56462979
Reduced:	SO3N4C22H36 (1)
Stoich.:	AB3C4D22E36 (1)
Weight, g/mol:	421.200156
ΔH_f, kcal/mol:	-127.02
Dipole, Da:	4.59
IP(EA), eV:	-8.52(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(dimethylamino)piperidine-1-carbonyl]-2-(4-ethoxyphenyl)isoindole-1,3-dione

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)N3CCCC(C3)N(C)C

DOS

IR

Vibrations