Geometry & MOs

Info

ID:	311986
PubChem CID:	126600412
Reduced:	O3N4F6H18C22 (1)
Stoich.:	A3B4C6D18E22 (1)
Weight, g/mol:	455.081694
ΔH_f, kcal/mol:	-368.1
Dipole, Da:	7.19
IP(EA), eV:	-8.8(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-cyanopyridin-3-yl)-3-[4-cyano-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)-1,3-oxazolidine-5-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=C(C=C1)NC(=O)[C@@H]2CN([C@H](O2)C(F)(F)F)C3=CC(=C(C=C3)C#N)C(F)(F)F

DOS

IR

Vibrations