Geometry & MOs

Info

ID:	373445
PubChem CID:	131315445
Reduced:	FISO2H8C10 (1)
Stoich.:	ABCD2E8F10 (1)
Weight, g/mol:	183.992722
ΔH_f, kcal/mol:	-77.51
Dipole, Da:	3.36
IP(EA), eV:	-9.05(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-hydroxy-1-benzofuran-3-one

Drug info:

PubChemData

Smile

CSC1=CC(=C(C(=C1)F)I)C=CC(=O)O

DOS

IR

Vibrations