Geometry & MOs

Info

ID:	284735
PubChem CID:	104066280
Reduced:	FSO3C13H15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	294.083827
ΔH_f, kcal/mol:	-171.47
Dipole, Da:	3.11
IP(EA), eV:	-9.27(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfanyl]-2-fluorobenzoic acid

Drug info:

PubChemData

Smile

C1CCC(C(C1)O)SC2=CC(=C(C=C2)F)C(=O)O

DOS

IR

Vibrations