Geometry & MOs

Info

ID:	300984
PubChem CID:	123058856
Reduced:	ClFNO6H27C29 (1)
Stoich.:	ABCD6E27F29 (1)
Weight, g/mol:	543.262088
ΔH_f, kcal/mol:	-205.47
Dipole, Da:	9.87
IP(EA), eV:	-8.77(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-1-(4-butylphenyl)-5-(3,4-diethoxyphenyl)-4-[(3-ethoxyphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C2/C(=C(/C3=CC(=CC=C3)OCC)\O)/C(=O)C(=O)N2C4=CC(=C(C=C4)F)Cl)OCC

DOS

IR

Vibrations