Geometry & MOs

Info

ID:	322144
PubChem CID:	126668875
Reduced:	NSO3F8H13C22 (1)
Stoich.:	ABC3D8E13F22 (1)
Weight, g/mol:	245.066363
ΔH_f, kcal/mol:	-417.12
Dipole, Da:	8.51
IP(EA), eV:	-9.26(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

C1COC2=C(C1C3=C(C=C(C=C3)C(F)(F)F)N)C=CC(=C2)S(=O)OC4=C(C(=C(C(=C4F)F)F)F)F

DOS

IR

Vibrations