Geometry & MOs

Info

ID:	336191
PubChem CID:	127255198
Reduced:	SN3O3H17C18 (1)
Stoich.:	AB3C3D17E18 (1)
Weight, g/mol:	423.158292
ΔH_f, kcal/mol:	-20.53
Dipole, Da:	4.21
IP(EA), eV:	-8.62(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6aH-isoindolo[2,3-a]quinazoline-5,11-dione

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)NC(=O)CCCN4C=CC=C4

DOS

IR

Vibrations