Geometry & MOs

Info

ID:	444874
PubChem CID:	135263790
Reduced:	NSF3O5C7H16 (1)
Stoich.:	ABC3D5E7F16 (1)
Weight, g/mol:	430.189257
ΔH_f, kcal/mol:	-390.33
Dipole, Da:	7.25
IP(EA), eV:	-8.56(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]-2-methylpropoxy]anilino]propanoic acid

Drug info:

PubChemData

Smile

C(CS)N.C(C(CO)O)O.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations