Geometry & MOs

Info

ID:	313050
PubChem CID:	126611004
Reduced:	F3O3N4C21H21 (1)
Stoich.:	A3B3C4D21E21 (1)
Weight, g/mol:	525.08749
ΔH_f, kcal/mol:	-207.06
Dipole, Da:	5.97
IP(EA), eV:	-8.56(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations