Geometry & MOs

Info

ID:	373179
PubChem CID:	131311155
Reduced:	ClSF3O3H4C7 (1)
Stoich.:	ABC3D3E4F7 (1)
Weight, g/mol:	218.105528
ΔH_f, kcal/mol:	-226.46
Dipole, Da:	6.86
IP(EA), eV:	-10.07(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S)-1-amino-2-phenylethyl]-4-methyl-2H-1,2-oxazol-5-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1F)F)F)S(=O)(=O)Cl

DOS

IR

Vibrations