Geometry & MOs

Info

ID:	311975
PubChem CID:	126600152
Reduced:	ClF3N3O3H17C20 (1)
Stoich.:	AB3C3D3E17F20 (1)
Weight, g/mol:	490.067601
ΔH_f, kcal/mol:	-161.3
Dipole, Da:	4.76
IP(EA), eV:	-9.12(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5S)-N-(4-cyano-2,5-difluorophenyl)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)-1,3-oxazolidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1Cl)C#N)N2C[C@H](O[C@@H]2C(F)(F)F)COC3=CC=C(C=C3)/C=N/O

DOS

IR

Vibrations