Geometry & MOs

Info

ID:	146479
PubChem CID:	53696393
Reduced:	SO2C16H30 (2)
Stoich.:	AB2C16D30 (2)
Weight, g/mol:	366.073953
ΔH_f, kcal/mol:	-289.73
Dipole, Da:	4.1
IP(EA), eV:	-8.97(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-methyl-1,3-dioxo-7,8-dihydro-6H-cyclopenta[e][2]benzofuran-8-yl)phthalic acid

Drug info:

PubChemData

Smile

CCCCC(CC)COC(=O)CSC1(CCCCCCCCCCC1)SCC(=O)OCC(CC)CCCC

DOS

IR

Vibrations