Geometry & MOs

Info

ID:	259716
PubChem CID:	103172928
Reduced:	FNSO2H10C12 (1)
Stoich.:	ABCD2E10F12 (1)
Weight, g/mol:	303.077658
ΔH_f, kcal/mol:	-75.63
Dipole, Da:	2.14
IP(EA), eV:	-9.27(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,4-dimethoxypyridin-2-yl)methylsulfonyl]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC1=CSC(=C1C2=CC(=CN=C2)F)C(=O)OC

DOS

IR

Vibrations