Geometry & MOs

Info

ID:	335558
PubChem CID:	127254420
Reduced:	NCl2O3H23C34 (1)
Stoich.:	AB2C3D23E34 (1)
Weight, g/mol:	433.120861
ΔH_f, kcal/mol:	4.67
Dipole, Da:	4.36
IP(EA), eV:	-8.53(-1.43)
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-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)[C@H]2[C@@H](C3(C4N2C5=C(C=C4)C=C(C=C5)Cl)C(=O)C6=CC=CC=C6C3=O)C7=CC=C(C=C7)Cl

DOS

IR

Vibrations