Geometry & MOs

Info

ID:	231872
PubChem CID:	87574827
Reduced:	ClO2H3F6C10 (1)
Stoich.:	AB2C3D6E10 (1)
Weight, g/mol:	259.0667
ΔH_f, kcal/mol:	-350.98
Dipole, Da:	1.0
IP(EA), eV:	-10.66(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-(2-amino-5-phenylphenoxy) ethanethioate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)C(F)(F)F)Cl)C(=O)C(F)(F)F

DOS

IR

Vibrations