Geometry & MOs

Info

ID:	216239
PubChem CID:	85085934
Reduced:	SO3C12H20 (1)
Stoich.:	AB3C12D20 (1)
Weight, g/mol:	244.203845
ΔH_f, kcal/mol:	-134.0
Dipole, Da:	3.74
IP(EA), eV:	-9.91(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-6-hexyl-1,3-dioxan-4-ol

Drug info:

PubChemData

Smile

CS(=O)(=O)OC1CC(=C)C1C2CCCCC2

DOS

IR

Vibrations