Geometry & MOs

Info

ID:	294482
PubChem CID:	117463464
Reduced:	FNO5C13H18 (1)
Stoich.:	ABC5D13E18 (1)
Weight, g/mol:	287.046358
ΔH_f, kcal/mol:	-227.78
Dipole, Da:	4.17
IP(EA), eV:	-8.51(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-(4-methylsulfonyl-1,3-benzodioxol-5-yl)propanoic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1OC)C(CCC(=O)O)N)F)OC

DOS

IR

Vibrations