Geometry & MOs

Info

ID:	311985
PubChem CID:	126600391
Reduced:	F3N3O4H16C17 (1)
Stoich.:	A3B3C4D16E17 (1)
Weight, g/mol:	500.128309
ΔH_f, kcal/mol:	-192.71
Dipole, Da:	4.27
IP(EA), eV:	-9.69(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5S)-3-[4-cyano-3-(trifluoromethyl)phenyl]-N-[4-(propanoylamino)phenyl]-2-(trifluoromethyl)-1,3-oxazolidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2CC(OC2C(F)(F)F)COC3=CC=NC=C3)[N+](=O)[O-]

DOS

IR

Vibrations