Geometry & MOs

Info

ID:	146103
PubChem CID:	53635570
Reduced:	SN2O2F6H18C24 (1)
Stoich.:	AB2C2D6E18F24 (1)
Weight, g/mol:	171.089543
ΔH_f, kcal/mol:	-257.29
Dipole, Da:	7.76
IP(EA), eV:	-9.52(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl (3R)-4-cyano-3-hydroxybutanoate

Drug info:

PubChemData

Smile

C#CCN1C(C2CS(=O)(=O)CC(=CC3=CC(=CC=C3)C(F)(F)F)C2=N1)C4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations