Geometry & MOs

Info

ID:	294298
PubChem CID:	117451989
Reduced:	NSO2C15H23 (1)
Stoich.:	ABC2D15E23 (1)
Weight, g/mol:	279.89381
ΔH_f, kcal/mol:	-68.08
Dipole, Da:	3.74
IP(EA), eV:	-8.46(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-3-chloro-5-fluorophenyl)-2-oxoacetic acid

Drug info:

PubChemData

Smile

CNCCC1=C(C(=CC=C1)OC2CCSCC2)OC

DOS

IR

Vibrations