Geometry & MOs

Info

ID:	334327
PubChem CID:	127252879
Reduced:	SN6O6C31H40 (1)
Stoich.:	AB6C6D31E40 (1)
Weight, g/mol:	494.15902
ΔH_f, kcal/mol:	-62.33
Dipole, Da:	6.21
IP(EA), eV:	-8.18(-0.95)
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-5-ylacetamide

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NN1)NC(=O)[C@H](CCSC)NC2=CC=C3C(=CC2=O)[C@H](CCC4=CC(=C(C(=C43)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations