Geometry & MOs

Info

ID:	261498
PubChem CID:	103236503
Reduced:	FSN2O2H11C12 (1)
Stoich.:	ABC2D2E11F12 (1)
Weight, g/mol:	289.111422
ΔH_f, kcal/mol:	-66.66
Dipole, Da:	4.41
IP(EA), eV:	-9.67(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2-fluoro-5-methylanilino)ethoxy]benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)CNCC2=CSC(=N2)C(=O)O

DOS

IR

Vibrations