Geometry & MOs

Info

ID:	300743
PubChem CID:	123051102
Reduced:	BrFN2O6H14C23 (1)
Stoich.:	ABC2D6E14F23 (1)
Weight, g/mol:	464.101979
ΔH_f, kcal/mol:	-118.79
Dipole, Da:	1.29
IP(EA), eV:	-9.41(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)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