Geometry & MOs

Info

ID:	311983
PubChem CID:	126600359
Reduced:	OSN3F6H13C20 (1)
Stoich.:	ABC3D6E13F20 (1)
Weight, g/mol:	368.038684
ΔH_f, kcal/mol:	-238.99
Dipole, Da:	5.3
IP(EA), eV:	-9.18(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,5S)-3-(3-chloro-4-nitrophenyl)-2-(trifluoromethyl)-1,3-oxazolidine-5-carboxylate

Drug info:

PubChemData

Smile

C1C(OC(N1C2=CC(=C(C=C2)C#N)C(F)(F)F)C(F)(F)F)CSC3=CC=C(C=C3)C#N

DOS

IR

Vibrations