Geometry & MOs

Info

ID:	228012
PubChem CID:	87563226
Reduced:	SO2F3N3C15H16 (1)
Stoich.:	AB2C3D3E15F16 (1)
Weight, g/mol:	359.091532
ΔH_f, kcal/mol:	-180.59
Dipole, Da:	6.85
IP(EA), eV:	-8.9(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-tert-butylsulfinylimino-N-[4-cyano-3-(trifluoromethyl)phenyl]propanamide

Drug info:

PubChemData

Smile

CC(=N[S@@](=O)C(C)(C)C)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F

DOS

IR

Vibrations