Geometry & MOs

Info

ID:	334359
PubChem CID:	127252911
Reduced:	NO9H25C27 (1)
Stoich.:	AB9C25D27 (1)
Weight, g/mol:	489.147075
ΔH_f, kcal/mol:	-275.87
Dipole, Da:	4.59
IP(EA), eV:	-8.68(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]butanamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)OC=C(C2=O)C(CC(=O)OC)C3=C(C=CC4=C3O/C(=C\N5CCOCC5)/C4=O)O

DOS

IR

Vibrations