Geometry & MOs

Info

ID:	311978
PubChem CID:	126600260
Reduced:	N2F3O3H19C20 (1)
Stoich.:	A2B3C3D19E20 (1)
Weight, g/mol:	532.118139
ΔH_f, kcal/mol:	-203.85
Dipole, Da:	5.14
IP(EA), eV:	-9.47(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-[[(2R,5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]methoxy]anilino]-2-oxoethyl]carbamic acid

Drug info:

PubChemData

Smile

C1[C@H](O[C@@H](N1C2=CC(=C(C=C2)C#N)C(F)(F)F)COCC3=CC=CC=C3)CO

DOS

IR

Vibrations