Geometry & MOs

Info

ID:	293850
PubChem CID:	117405915
Reduced:	ClO6H9C10 (1)
Stoich.:	AB6C9D10 (1)
Weight, g/mol:	260.025165
ΔH_f, kcal/mol:	-214.74
Dipole, Da:	5.09
IP(EA), eV:	-9.15(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(3-chloro-2-fluoro-6-methoxyphenyl)-2-oxoacetate

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1C(C(=O)O)O)OCO2)Cl

DOS

IR

Vibrations