Geometry & MOs

Info

ID:	33713
PubChem CID:	7887663
Reduced:	FNO5C13H16 (1)
Stoich.:	ABC5D13E16 (1)
Weight, g/mol:	283.121986
ΔH_f, kcal/mol:	-235.23
Dipole, Da:	6.88
IP(EA), eV:	-9.71(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-fluoro-4-methoxybenzoate

Drug info:

PubChemData

Smile

COCCNC(=O)COC(=O)C1=C(C=C(C=C1)OC)F

DOS

IR

Vibrations