Geometry & MOs

Info

ID:	335769
PubChem CID:	127254631
Reduced:	N3O3C21H29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	499.141321
ΔH_f, kcal/mol:	-131.05
Dipole, Da:	3.38
IP(EA), eV:	-9.46(0.21)
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)methyl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCC1CC2=CC=CC=C2)C(=O)CCCC(=O)N3CCNC(=O)C3

DOS

IR

Vibrations