Geometry & MOs

Info

ID:	151329
PubChem CID:	53801076
Reduced:	S2O4C11H12 (1)
Stoich.:	A2B4C11D12 (1)
Weight, g/mol:	284.032088
ΔH_f, kcal/mol:	-120.14
Dipole, Da:	5.53
IP(EA), eV:	-9.7(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1,3-dioxo-2-benzofuran-5-yl)oxy]benzoic acid

Drug info:

PubChemData

Smile

CCS(=O)(=O)SCC(=O)C(=O)C1=CC=CC=C1

DOS

IR

Vibrations