Geometry & MOs

Info

ID:	231313
PubChem CID:	87573456
Reduced:	PSO3C15H35 (1)
Stoich.:	ABC3D15E35 (1)
Weight, g/mol:	259.0667
ΔH_f, kcal/mol:	-230.94
Dipole, Da:	8.84
IP(EA), eV:	-9.71(1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-(4-amino-2-phenylphenoxy) ethanethioate

Drug info:

PubChemData

Smile

CCCCCCCCP(CC)(CC)(CC)OS(=O)(=O)C

DOS

IR

Vibrations