Geometry & MOs

Info

ID:	335797
PubChem CID:	127254659
Reduced:	OSN2C9H9 (2)
Stoich.:	ABC2D9E9 (2)
Weight, g/mol:	413.173942
ΔH_f, kcal/mol:	14.22
Dipole, Da:	8.36
IP(EA), eV:	-8.58(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=C(C=C2)OC)C(=O)NC3=C4CSCC4=NN3C

DOS

IR

Vibrations