Geometry & MOs

Info

ID:	82651
PubChem CID:	49856286
Reduced:	ClO3N8H19C23 (1)
Stoich.:	AB3C8D19E23 (1)
Weight, g/mol:	499.135505
ΔH_f, kcal/mol:	69.37
Dipole, Da:	10.87
IP(EA), eV:	-8.48(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-oxo-1H-pyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)C2=NN(C=C2NC(=O)C3=C4N=CC=CN4N=C3)CC(=O)N5CC(C5)C#N

DOS

IR

Vibrations