Geometry & MOs

Info

ID:	63432
PubChem CID:	26758334
Reduced:	ClSO3N5C22H22 (1)
Stoich.:	ABC3D5E22F22 (1)
Weight, g/mol:	413.148789
ΔH_f, kcal/mol:	-22.27
Dipole, Da:	6.97
IP(EA), eV:	-9.09(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations