Geometry & MOs

Info

ID:	336132
PubChem CID:	127255139
Reduced:	SO2N4C12H16 (1)
Stoich.:	AB2C4D12E16 (1)
Weight, g/mol:	465.18009
ΔH_f, kcal/mol:	-41.67
Dipole, Da:	4.36
IP(EA), eV:	-8.72(-0.13)
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-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CN1CC(CC1=O)C(=O)NC2=C3CSCC3=NN2C

DOS

IR

Vibrations