Geometry & MOs

Info

ID:	336126
PubChem CID:	127255133
Reduced:	ON4C21H26 (1)
Stoich.:	AB4C21D26 (1)
Weight, g/mol:	404.094312
ΔH_f, kcal/mol:	6.22
Dipole, Da:	5.22
IP(EA), eV:	-8.7(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)CCCCCN2C=CC=C2)C3=NC4=CC=CC=C4N3

DOS

IR

Vibrations