Geometry & MOs

Info

ID:	408286
PubChem CID:	135081050
Reduced:	NSO3C11H11 (1)
Stoich.:	ABC3D11E11 (1)
Weight, g/mol:	227.076928
ΔH_f, kcal/mol:	-79.43
Dipole, Da:	5.0
IP(EA), eV:	-8.83(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoroethyl (3R)-3-acetamidobutanoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC2=C1SC=C2)C(=O)C

DOS

IR

Vibrations