Geometry & MOs

Info

ID:	45792
PubChem CID:	10517666
Reduced:	NSF3O3H8C11 (1)
Stoich.:	ABC3D3E8F11 (1)
Weight, g/mol:	291.017699
ΔH_f, kcal/mol:	-203.32
Dipole, Da:	1.87
IP(EA), eV:	-10.06(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-2-cyano-1-phenylprop-1-enyl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

C/C(=C(/C1=CC=CC=C1)\OS(=O)(=O)C(F)(F)F)/C#N

DOS

IR

Vibrations