Geometry & MOs

Info

ID:	249520
PubChem CID:	103090187
Reduced:	SO3C12H22 (1)
Stoich.:	AB3C12D22 (1)
Weight, g/mol:	204.082016
ΔH_f, kcal/mol:	-164.45
Dipole, Da:	1.51
IP(EA), eV:	-8.65(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-7-methylsulfanyl-4-oxoheptanoic acid

Drug info:

PubChemData

Smile

CCCCOC(=O)CCC(=O)CCCSC

DOS

IR

Vibrations