Geometry & MOs

Info

ID:	334487
PubChem CID:	127253162
Reduced:	NO2C9H11 (3)
Stoich.:	AB2C9D11 (3)
Weight, g/mol:	442.164105
ΔH_f, kcal/mol:	-166.28
Dipole, Da:	6.12
IP(EA), eV:	-8.53(-0.35)
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-(2-methoxypyridin-3-yl)butanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1CC1)NC2=CC=C3C(=CC2=O)[C@H](CCC4=CC(=C(C(=C43)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations