Geometry & MOs

Info

ID:	335196
PubChem CID:	127254057
Reduced:	ClSN3O5H24C26 (1)
Stoich.:	ABC3D5E24F26 (1)
Weight, g/mol:	495.143035
ΔH_f, kcal/mol:	-97.28
Dipole, Da:	4.59
IP(EA), eV:	-8.8(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3,4-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCCC4=CSC(=N4)C5=CN=CC=C5

DOS

IR

Vibrations