Geometry & MOs

Info

ID:	231608
PubChem CID:	87574301
Reduced:	NaSO5C14H27 (2)
Stoich.:	ABC5D14E27 (2)
Weight, g/mol:	259.0667
ΔH_f, kcal/mol:	-463.05
Dipole, Da:	5.61
IP(EA), eV:	-4.15(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-(2-amino-6-phenylphenoxy) ethanethioate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCOC(=O)C(C(C(=O)OCCCCCCCCCCCC)S(=O)(=O)O)S(=O)(=O)O.[Na].[Na]

DOS

IR

Vibrations