Geometry & MOs

Info

ID:	151487
PubChem CID:	53812512
Reduced:	NS2O3H11C12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	284.104859
ΔH_f, kcal/mol:	-61.38
Dipole, Da:	3.23
IP(EA), eV:	-9.26(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dimethyl-6-oxo-7-propylidene-8H-cyclopenta[e][1]benzofuran-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OCCO)C=C2C(=O)NC(=S)S2

DOS

IR

Vibrations