Geometry & MOs

Info

ID:	300714
PubChem CID:	123051051
Reduced:	FN2O4H27C29 (1)
Stoich.:	AB2C4D27E29 (1)
Weight, g/mol:	477.158766
ΔH_f, kcal/mol:	-121.44
Dipole, Da:	6.07
IP(EA), eV:	-7.86(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=CC=C(C=C2)N3C(/C(=C(/C4=CC=C(C=C4)F)\O)/C(=O)C3=O)C5=CC(=CC=C5)O

DOS

IR

Vibrations