Geometry & MOs

Info

ID:	404869
PubChem CID:	135071539
Reduced:	SO2C17H18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	370.162768
ΔH_f, kcal/mol:	-31.76
Dipole, Da:	6.2
IP(EA), eV:	-9.54(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-O-but-3-enyl 2-O-but-3-ynyl 5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2,3-dicarboxylate

Drug info:

PubChemData

Smile

C/C(=C\CCC1=CC=CC=C1)/S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations