Geometry & MOs

Info

ID:	263446
PubChem CID:	103368083
Reduced:	SN2F3O3H7C11 (1)
Stoich.:	AB2C3D3E7F11 (1)
Weight, g/mol:	236.023119
ΔH_f, kcal/mol:	-213.44
Dipole, Da:	7.61
IP(EA), eV:	-10.98(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-2-[(4-methyl-2-oxo-1,3-thiazol-3-yl)methyl]propanenitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(C#N)C(F)(F)F

DOS

IR

Vibrations