Geometry & MOs

Info

ID:	213496
PubChem CID:	81063918
Reduced:	N2F3O4C12H13 (1)
Stoich.:	A2B3C4D12E13 (1)
Weight, g/mol:	288.111007
ΔH_f, kcal/mol:	-323.99
Dipole, Da:	5.36
IP(EA), eV:	-10.04(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=CC=C(NC1=O)C(F)(F)F

DOS

IR

Vibrations