Geometry & MOs

Info

ID:	294213
PubChem CID:	117437160
Reduced:	ClFNO2C13H17 (1)
Stoich.:	ABCD2E13F17 (1)
Weight, g/mol:	274.031123
ΔH_f, kcal/mol:	-128.75
Dipole, Da:	2.52
IP(EA), eV:	-8.75(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(3-fluoro-2-methylsulfonylphenyl)-2-oxoacetate

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1O)CC2CCCNC2)Cl)F

DOS

IR

Vibrations