Geometry & MOs

Info

ID:	260817
PubChem CID:	103205822
Reduced:	NSF2O4C13H15 (1)
Stoich.:	ABC2D4E13F15 (1)
Weight, g/mol:	259.066757
ΔH_f, kcal/mol:	-263.2
Dipole, Da:	6.15
IP(EA), eV:	-8.68(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]butanoic acid

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC(=C2C(=O)O)NC(=O)CCOCC(F)F

DOS

IR

Vibrations