Geometry & MOs

Info

ID:	335709
PubChem CID:	127254571
Reduced:	OSN2C9H10 (2)
Stoich.:	ABC2D9E10 (2)
Weight, g/mol:	483.179421
ΔH_f, kcal/mol:	-12.63
Dipole, Da:	4.93
IP(EA), eV:	-8.62(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6aH-isoindolo[2,3-a]quinazoline-5,11-dione

Drug info:

PubChemData

Smile

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)[C@@H](CCSC)N3C=CC=C3

DOS

IR

Vibrations