Geometry & MOs

Info

ID:	259165
PubChem CID:	103158460
Reduced:	SN2O4C12H18 (1)
Stoich.:	AB2C4D12E18 (1)
Weight, g/mol:	284.117235
ΔH_f, kcal/mol:	-161.24
Dipole, Da:	7.87
IP(EA), eV:	-9.49(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-fluoro-2-methylphenyl)carbamoylamino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)NCCC1=CC=CS1

DOS

IR

Vibrations