Geometry & MOs

Info

ID:	301145
PubChem CID:	123060245
Reduced:	ClFNO5H25C28 (1)
Stoich.:	ABCD5E25F28 (1)
Weight, g/mol:	543.225702
ΔH_f, kcal/mol:	-169.48
Dipole, Da:	10.86
IP(EA), eV:	-8.95(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[(3Z)-2-(3-ethoxyphenyl)-3-[hydroxy-(3-propoxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]phenyl]acetate

Drug info:

PubChemData

Smile

CCCOC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC(=C(C=C3)F)Cl)C4=CC(=CC=C4)OCC)/O

DOS

IR

Vibrations