Geometry & MOs

Info

ID:	334657
PubChem CID:	127253332
Reduced:	ClNSO8C20H22 (1)
Stoich.:	ABCD8E20F22 (1)
Weight, g/mol:	422.147786
ΔH_f, kcal/mol:	-296.79
Dipole, Da:	5.89
IP(EA), eV:	-8.94(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxy-5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)-N-(2-methoxyethyl)acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)N[C@H]4CS(=O)(=O)C[C@H]4O

DOS

IR

Vibrations