Geometry & MOs

Info

ID:	335903
PubChem CID:	127254765
Reduced:	NO2C11H11 (2)
Stoich.:	AB2C11D11 (2)
Weight, g/mol:	478.131091
ΔH_f, kcal/mol:	-87.75
Dipole, Da:	6.12
IP(EA), eV:	-8.56(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C2=CC=CC=C21)C3CCCN3C(=O)C4=CC(=O)C(=CN4)OC

DOS

IR

Vibrations