Geometry & MOs

Info

ID:	334593
PubChem CID:	127253268
Reduced:	ClN3O9H30C31 (1)
Stoich.:	AB3C9D30E31 (1)
Weight, g/mol:	483.143035
ΔH_f, kcal/mol:	-291.28
Dipole, Da:	5.19
IP(EA), eV:	-8.31(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(3,4-dimethoxy-5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)acetyl]amino]benzamide

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(C(C3=C(N2)N(C(=O)N(C3=O)C)C)C4=C(C=C(C=C4)OC)OC)C(=O)[C@]15C(=O)C6=C(O5)C(=C(C=C6OC)OC)Cl

DOS

IR

Vibrations