Geometry & MOs

Info

ID:	334216
PubChem CID:	127252768
Reduced:	ClN3O5C22H24 (1)
Stoich.:	AB3C5D22E24 (1)
Weight, g/mol:	451.128054
ΔH_f, kcal/mol:	-127.35
Dipole, Da:	2.88
IP(EA), eV:	-9.01(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(4-oxo-1H-quinazolin-6-yl)acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCCCN4C=CN=C4

DOS

IR

Vibrations