Geometry & MOs

Info

ID:	300755
PubChem CID:	123051125
Reduced:	N2F3O6H13C23 (1)
Stoich.:	A2B3C6D13E23 (1)
Weight, g/mol:	517.190066
ΔH_f, kcal/mol:	-203.44
Dipole, Da:	4.46
IP(EA), eV:	-9.37(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxyethyl 4-[(3E)-2-(4-ethylphenyl)-3-[(4-fluorophenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C(=C/2\C(N(C(=O)C2=O)C3=C(C=CC(=C3)F)F)C4=CC(=C(C=C4)O)[N+](=O)[O-])/O)F

DOS

IR

Vibrations