Geometry & MOs

Info

ID:	336264
PubChem CID:	127255271
Reduced:	OS2N4H14C15 (1)
Stoich.:	AB2C4D14E15 (1)
Weight, g/mol:	499.141321
ΔH_f, kcal/mol:	49.57
Dipole, Da:	7.16
IP(EA), eV:	-8.47(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(1,1-dioxothiolan-3-yl)propanamide

Drug info:

PubChemData

Smile

CC1=NC2=C(S1)C=C(C=C2)C(=O)NC3=C4CSCC4=NN3C

DOS

IR

Vibrations