Geometry & MOs

Info

ID:	288871
PubChem CID:	104327444
Reduced:	FNSO3C13H14 (1)
Stoich.:	ABCD3E13F14 (1)
Weight, g/mol:	267.127072
ΔH_f, kcal/mol:	-163.45
Dipole, Da:	2.36
IP(EA), eV:	-9.44(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[ethyl-(4-fluoro-2-methylbenzoyl)amino]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C(=O)NC2(CCSC2)C(=O)O

DOS

IR

Vibrations