Geometry & MOs

Info

ID:	45799
PubChem CID:	10517719
Reduced:	SN2F3O3H7C10 (1)
Stoich.:	AB2C3D3E7F10 (1)
Weight, g/mol:	292.088656
ΔH_f, kcal/mol:	-237.03
Dipole, Da:	4.17
IP(EA), eV:	-9.22(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E,6E)-1,1,1,2,2-pentafluoro-4-methyl-7-phenylhepta-4,6-dien-3-ol

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1OC(F)(F)F)SC(=N)N2CC(=O)O

DOS

IR

Vibrations