Geometry & MOs

Info

ID:	300719
PubChem CID:	123051059
Reduced:	FNO6H22C27 (1)
Stoich.:	ABC6D22E27 (1)
Weight, g/mol:	467.01685
ΔH_f, kcal/mol:	-204.22
Dipole, Da:	5.52
IP(EA), eV:	-9.17(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-1-(3-bromophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(3-hydroxyphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCCOC(=O)C1=CC(=CC=C1)N2C(/C(=C(/C3=CC=C(C=C3)F)\O)/C(=O)C2=O)C4=CC(=CC=C4)O

DOS

IR

Vibrations