Geometry & MOs

Info

ID:	28799
PubChem CID:	829703
Reduced:	ON2H9C10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	317.106336
ΔH_f, kcal/mol:	50.49
Dipole, Da:	5.13
IP(EA), eV:	-8.82(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C3=C([C@H](C(=C(O3)N)C#N)C4=CC=C(O4)C)C(=N2)C

DOS

IR

Vibrations