Geometry & MOs

Info

ID:	444785
PubChem CID:	135263541
Reduced:	NSF3O6H10C11 (1)
Stoich.:	ABC3D6E10F11 (1)
Weight, g/mol:	341.018093
ΔH_f, kcal/mol:	-375.71
Dipole, Da:	5.83
IP(EA), eV:	-10.24(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(trifluoromethylsulfonyloxy)benzoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC(C(=O)O)NC(=O)C1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations