Geometry & MOs

Info

ID:	300744
PubChem CID:	123051106
Reduced:	FN2O7H17C24 (1)
Stoich.:	AB2C7D17E24 (1)
Weight, g/mol:	468.052442
ΔH_f, kcal/mol:	-160.0
Dipole, Da:	3.17
IP(EA), eV:	-8.69(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-1-(3-chlorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(4-hydroxy-3-nitrophenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(/C(=C(\C3=CC=C(C=C3)F)/O)/C(=O)C2=O)C4=CC(=C(C=C4)O)[N+](=O)[O-]

DOS

IR

Vibrations