Geometry & MOs

Info

ID:	383647
PubChem CID:	134975496
Reduced:	BrCl2S2H5C9 (1)
Stoich.:	AB2C2D5E9 (1)
Weight, g/mol:	274.998975
ΔH_f, kcal/mol:	43.92
Dipole, Da:	5.01
IP(EA), eV:	-9.23(-2.35)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4E)-2-phenyl-4-(2,2,2-trifluoro-1-hydroxyethylidene)-1,3-oxathiol-1-ium-5-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C(=S(S2)Cl)Cl)Br

DOS

IR

Vibrations