Geometry & MOs

Info

ID:	147920
PubChem CID:	53787580
Reduced:	ClO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	286.02998
ΔH_f, kcal/mol:	-77.58
Dipole, Da:	3.22
IP(EA), eV:	-8.65(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-1-benzofuran-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1CC=C(C)CC=O)C)Cl)OC

DOS

IR

Vibrations