Geometry & MOs

Info

ID:	404759
PubChem CID:	135070527
Reduced:	FN2O3C10H11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	256.085719
ΔH_f, kcal/mol:	-164.11
Dipole, Da:	4.95
IP(EA), eV:	-10.08(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(R)-N-[(2R)-2-cyano-1,1,1-trifluorobutan-2-yl]-2-methylpropane-2-sulfinamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1[C@@H](CC(=O)O)NC(=O)N)F

DOS

IR

Vibrations