Geometry & MOs

Info

ID:	259189
PubChem CID:	103158536
Reduced:	FNO2C6H7 (2)
Stoich.:	ABC2D6E7 (2)
Weight, g/mol:	284.117235
ΔH_f, kcal/mol:	-244.74
Dipole, Da:	7.6
IP(EA), eV:	-9.81(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)NC1=C(C=CC=C1F)F

DOS

IR

Vibrations