Geometry & MOs

Info

ID:	334668
PubChem CID:	127253343
Reduced:	ClFN2O5H24C26 (1)
Stoich.:	ABC2D5E24F26 (1)
Weight, g/mol:	494.15902
ΔH_f, kcal/mol:	-179.78
Dipole, Da:	3.48
IP(EA), eV:	-8.72(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-quinolin-8-ylacetamide

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCCC4=CNC5=C4C=C(C=C5)F

DOS

IR

Vibrations