Geometry & MOs

Info

ID:	314284
PubChem CID:	126621149
Reduced:	N2O2F9H9C14 (1)
Stoich.:	A2B2C9D9E14 (1)
Weight, g/mol:	503.127975
ΔH_f, kcal/mol:	-502.01
Dipole, Da:	3.88
IP(EA), eV:	-9.91(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(O[C@H](N1C2=CC(=C(C=C2)C#N)C(F)(F)F)C(F)(F)F)[C@@H](C(F)(F)F)O

DOS

IR

Vibrations