Geometry & MOs

Info

ID:	351624
PubChem CID:	127280516
Reduced:	SO2N5C18H27 (1)
Stoich.:	AB2C5D18E27 (1)
Weight, g/mol:	398.195405
ΔH_f, kcal/mol:	-67.74
Dipole, Da:	4.31
IP(EA), eV:	-8.83(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-oxo-3-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]propyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)C(=O)CN3CCCC3)C

DOS

IR

Vibrations