Geometry & MOs

Info

ID:	300750
PubChem CID:	123051120
Reduced:	ClFN2O7H14C23 (1)
Stoich.:	ABC2D7E14F23 (1)
Weight, g/mol:	512.00193
ΔH_f, kcal/mol:	-164.29
Dipole, Da:	4.57
IP(EA), eV:	-9.06(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C(=C/2\C(N(C(=O)C2=O)C3=C(C=CC(=C3)Cl)O)C4=CC(=C(C=C4)O)[N+](=O)[O-])/O)F

DOS

IR

Vibrations