Geometry & MOs

Info

ID:	336284
PubChem CID:	127255291
Reduced:	N4O5C27H30 (1)
Stoich.:	A4B5C27D30 (1)
Weight, g/mol:	485.125671
ΔH_f, kcal/mol:	-185.13
Dipole, Da:	4.05
IP(EA), eV:	-9.09(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC12CC(C(C(=O)N1CCNC(=O)C3CC(=O)N(C3)CC4=CC=CC=C4)C(=O)N)C5=CC=CC=C5O2

DOS

IR

Vibrations