Geometry & MOs

Info

ID:	300711
PubChem CID:	123050962
Reduced:	FNCl2O4H20C26 (1)
Stoich.:	ABC2D4E20F26 (1)
Weight, g/mol:	469.064777
ΔH_f, kcal/mol:	-133.1
Dipole, Da:	5.91
IP(EA), eV:	-8.98(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=CC=CC(=C1)N2C(/C(=C(\C3=CC=C(C=C3)F)/O)/C(=O)C2=O)C4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations