Geometry & MOs

Info

ID:	292889
PubChem CID:	117362442
Reduced:	FN4C13H13 (1)
Stoich.:	AB4C13D13 (1)
Weight, g/mol:	244.056944
ΔH_f, kcal/mol:	25.46
Dipole, Da:	4.7
IP(EA), eV:	-8.49(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)propanoic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(N1)C=CC(=C2F)C3=C(N(N=C3)C)N

DOS

IR

Vibrations