Geometry & MOs

Info

ID:	406377
PubChem CID:	135077394
Reduced:	O3C11H14 (2)
Stoich.:	A3B11C14 (2)
Weight, g/mol:	292.095558
ΔH_f, kcal/mol:	-201.35
Dipole, Da:	1.23
IP(EA), eV:	-8.76(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hex-1-ynyl-2-(4-methoxyphenyl)-1,3-dithiolane

Drug info:

PubChemData

Smile

C/C(=C\CCC1=CC(=CC(=C1)OC)OC)/CC(CC#C)(C(=O)OC)C(=O)OC

DOS

IR

Vibrations