Geometry & MOs

Info

ID:	201269
PubChem CID:	79517054
Reduced:	ClOSN2H15C16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	288.116173
ΔH_f, kcal/mol:	17.15
Dipole, Da:	1.46
IP(EA), eV:	-8.21(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-tert-butylphenoxy)-6-fluorobenzoic acid

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1Cl)NC2=NC3=C(S2)C=C(C=C3)OC

DOS

IR

Vibrations