Geometry & MOs

Info

ID:	337950
PubChem CID:	127258573
Reduced:	SO2C12H22 (1)
Stoich.:	AB2C12D22 (1)
Weight, g/mol:	240.172545
ΔH_f, kcal/mol:	-129.36
Dipole, Da:	3.47
IP(EA), eV:	-8.6(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-2-methyl-4-(2-methylbut-3-en-2-yloxy)but-2-enyl] butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OC1CCCC(CC1)SC

DOS

IR

Vibrations