Geometry & MOs

Info

ID:	155007
PubChem CID:	56314573
Reduced:	ClSO2N5H20C25 (1)
Stoich.:	ABC2D5E20F25 (1)
Weight, g/mol:	446.15902
ΔH_f, kcal/mol:	65.53
Dipole, Da:	5.69
IP(EA), eV:	-9.19(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[2-(furan-2-yl)quinoline-4-carbonyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC3=C(O2)C=CC(=C3)Cl)C(=O)C4=CSC(=N4)C5=CN(N=C5)C6=CC=CC=C6

DOS

IR

Vibrations