Geometry & MOs

Info

ID:	311982
PubChem CID:	126600267
Reduced:	N3O4F6H13C19 (1)
Stoich.:	A3B4C6D13E19 (1)
Weight, g/mol:	457.068352
ΔH_f, kcal/mol:	-317.74
Dipole, Da:	6.3
IP(EA), eV:	-10.01(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[(4-cyanophenyl)sulfanylmethyl]-2-(trifluoromethyl)-1,3-oxazolidin-3-yl]-2-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

C1[C@H](O[C@H](N1C2=CC(=C(C=C2)C#N)C(F)(F)F)C(F)(F)F)COC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations