Geometry & MOs

Info

ID:	300585
PubChem CID:	123044076
Reduced:	NO6H27C29 (1)
Stoich.:	AB6C27D29 (1)
Weight, g/mol:	503.174416
ΔH_f, kcal/mol:	-160.0
Dipole, Da:	6.94
IP(EA), eV:	-9.21(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)COC1=CC=CC(=C1)C2/C(=C(/C3=CC=CC=C3)\O)/C(=O)C(=O)N2C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations