Geometry & MOs

Info

ID:	336286
PubChem CID:	127255293
Reduced:	O3N5H17C20 (1)
Stoich.:	A3B5C17D20 (1)
Weight, g/mol:	490.131091
ΔH_f, kcal/mol:	-30.36
Dipole, Da:	9.44
IP(EA), eV:	-8.74(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)N1C(=O)C2=C(C=CC(=C2)NC(=O)C3=CNC4=CC=CC=C4C3=O)N=N1

DOS

IR

Vibrations