Geometry & MOs

Info

ID:	334728
PubChem CID:	127253403
Reduced:	ClN2O8H19C22 (1)
Stoich.:	AB2C8D19E22 (1)
Weight, g/mol:	435.215806
ΔH_f, kcal/mol:	-185.25
Dipole, Da:	7.74
IP(EA), eV:	-9.06(-1.48)
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-(3-propan-2-yloxypropyl)butanamide

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC4=C(C=CC(=C4)[N+](=O)[O-])O

DOS

IR

Vibrations