Geometry & MOs

Info

ID:	89747
PubChem CID:	49964254
Reduced:	Na2S2H6O7C13 (1)
Stoich.:	A2B2C6D7E13 (1)
Weight, g/mol:	218.055464
ΔH_f, kcal/mol:	-297.32
Dipole, Da:	2.68
IP(EA), eV:	-9.47(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z,3R)-4,4,4-trifluoro-1-phenylbut-1-ene-1,3-diol

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1S(=O)(=O)[O-])C(=O)C3=C2C=CC(=C3)S(=O)(=O)[O-].[Na+].[Na+]

DOS

IR

Vibrations