Geometry & MOs

Info

ID:	293851
PubChem CID:	117405930
Reduced:	ClFO4H10C11 (1)
Stoich.:	ABC4D10E11 (1)
Weight, g/mol:	260.025165
ΔH_f, kcal/mol:	-186.0
Dipole, Da:	1.41
IP(EA), eV:	-9.44(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2-chloro-5-fluoro-3-methoxyphenyl)-2-oxoacetate

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)C1=C(C=CC(=C1F)Cl)OC

DOS

IR

Vibrations