Geometry & MOs

Info

ID:	313051
PubChem CID:	126611008
Reduced:	BrF3N3O3C23H23 (1)
Stoich.:	AB3C3D3E23F23 (1)
Weight, g/mol:	435.140591
ΔH_f, kcal/mol:	-222.46
Dipole, Da:	6.83
IP(EA), eV:	-8.5(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[(2R,5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-1,3-oxazolidin-5-yl]methoxy]phenyl]-2-hydroxyacetamide

Drug info:

PubChemData

Smile

C[C@@H]1N(C[C@H](O1)COC2=CC=C(C=C2)NC(=O)CCCBr)C3=CC(=C(C=C3)C#N)C(F)(F)F

DOS

IR

Vibrations