Geometry & MOs

Info

ID:	28814
PubChem CID:	829802
Reduced:	FNO2H16C19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	317.106336
ΔH_f, kcal/mol:	-60.12
Dipole, Da:	3.36
IP(EA), eV:	-8.55(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]benzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC2=CC=CC=C2C=C1)OC3=CC=CC=C3F

DOS

IR

Vibrations