Geometry & MOs

Info

ID:	258343
PubChem CID:	103153081
Reduced:	NF3O4C12H12 (1)
Stoich.:	AB3C4D12E12 (1)
Weight, g/mol:	284.083078
ΔH_f, kcal/mol:	-291.58
Dipole, Da:	8.04
IP(EA), eV:	-10.26(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-[(2-methylsulfanylpyridine-3-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)C1=C(C=C(C=C1F)F)F

DOS

IR

Vibrations