Geometry & MOs

Info

ID:	34134
PubChem CID:	7889986
Reduced:	NSF3O4H16C17 (1)
Stoich.:	ABC3D4E16F17 (1)
Weight, g/mol:	314.124212
ΔH_f, kcal/mol:	-300.01
Dipole, Da:	2.96
IP(EA), eV:	-8.8(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1C(=O)OC)NC(=O)COC2=CC=C(C=C2)C(F)(F)F)C

DOS

IR

Vibrations