Geometry & MOs

Info

ID:	162642
PubChem CID:	57410892
Reduced:	O5C14H16 (1)
Stoich.:	A5B14C16 (1)
Weight, g/mol:	332.045151
ΔH_f, kcal/mol:	-191.29
Dipole, Da:	3.48
IP(EA), eV:	-9.52(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 2-acetyl-5-chloro-3-hydroxy-3H-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)C(C(=O)OC)C(=O)OC)C

DOS

IR

Vibrations