Geometry & MOs

Info

ID:	334806
PubChem CID:	127253481
Reduced:	N5O6C36H43 (1)
Stoich.:	A5B6C36D43 (1)
Weight, g/mol:	440.184841
ΔH_f, kcal/mol:	-154.14
Dipole, Da:	4.85
IP(EA), eV:	-8.63(-0.55)
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-pyridin-4-ylethyl)butanamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)[C@H](C)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations