Geometry & MOs

Info

ID:	226781
PubChem CID:	87558281
Reduced:	SO5H8C10 (1)
Stoich.:	AB5C8D10 (1)
Weight, g/mol:	242.024895
ΔH_f, kcal/mol:	-156.76
Dipole, Da:	7.65
IP(EA), eV:	-9.77(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-3-[2-(sulfanylmethoxy)acetyl]benzoic acid

Drug info:

PubChemData

Smile

COC(=S)C(=O)C1=C(C(=CC=C1)C(=O)O)O

DOS

IR

Vibrations