Geometry & MOs

Info

ID:	300586
PubChem CID:	123044242
Reduced:	FNO6H26C29 (1)
Stoich.:	ABC6D26E29 (1)
Weight, g/mol:	517.190066
ΔH_f, kcal/mol:	-204.41
Dipole, Da:	8.01
IP(EA), eV:	-9.15(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC(=O)C1=CC(=CC=C1)N2C(/C(=C(/C3=CC(=CC=C3)OCC)\O)/C(=O)C2=O)C4=CC=CC=C4F

DOS

IR

Vibrations