Geometry & MOs

Info

ID:	337037
PubChem CID:	127256602
Reduced:	OC10H18 (2)
Stoich.:	AB10C18 (2)
Weight, g/mol:	380.202131
ΔH_f, kcal/mol:	-140.69
Dipole, Da:	2.73
IP(EA), eV:	-9.61(1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-8-(benzenesulfonyl)-3,7-dimethyloct-6-enoxy]oxane

Drug info:

PubChemData

Smile

CCCCCC(/C=C/C1CCCC1CC)OC2CCCCO2

DOS

IR

Vibrations