Geometry & MOs

Info

ID:	284736
PubChem CID:	104066299
Reduced:	FSN2O2C14H15 (1)
Stoich.:	ABC2D2E14F15 (1)
Weight, g/mol:	280.036957
ΔH_f, kcal/mol:	-79.64
Dipole, Da:	3.37
IP(EA), eV:	-9.25(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-5-[(4-fluorophenyl)methylsulfanyl]benzoic acid

Drug info:

PubChemData

Smile

CCN1C(=CC(=N1)C)CSC2=CC(=C(C=C2)F)C(=O)O

DOS

IR

Vibrations