Geometry & MOs

Info

ID:	9818
PubChem CID:	93527
Reduced:	SO3C14H22 (1)
Stoich.:	AB3C14D22 (1)
Weight, g/mol:	270.128966
ΔH_f, kcal/mol:	-154.89
Dipole, Da:	0.56
IP(EA), eV:	-8.73(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-ethylsulfanylpropyl)-2-propanoylcyclohexane-1,3-dione

Drug info:

PubChemData

Smile

CCC(=O)C1C(=O)CC(CC1=O)CC(C)SCC

DOS

IR

Vibrations