Geometry & MOs

Info

ID:	311988
PubChem CID:	126600427
Reduced:	N3O3F6H19C22 (1)
Stoich.:	A3B3C6D19E22 (1)
Weight, g/mol:	508.037302
ΔH_f, kcal/mol:	-365.7
Dipole, Da:	3.45
IP(EA), eV:	-9.24(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NCC1=CC=C(C=C1)OC[C@@H]2CN([C@H](O2)C(F)(F)F)C3=CC(=C(C=C3)C#N)C(F)(F)F

DOS

IR

Vibrations