Geometry & MOs

Info

ID:	336253
PubChem CID:	127255260
Reduced:	ON4C20H24 (1)
Stoich.:	AB4C20D24 (1)
Weight, g/mol:	453.135842
ΔH_f, kcal/mol:	7.01
Dipole, Da:	5.14
IP(EA), eV:	-8.12(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,10-dimethoxy-6-(2-oxo-2-thiomorpholin-4-ylethyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione

Drug info:

PubChemData

Smile

CC1=CC=C(N1CC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4N3)C

DOS

IR

Vibrations