Geometry & MOs

Info

ID:	383761
PubChem CID:	134975676
Reduced:	SO2C13H18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	198.198365
ΔH_f, kcal/mol:	-68.49
Dipole, Da:	5.37
IP(EA), eV:	-8.96(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-methyldodecan-3-one

Drug info:

PubChemData

Smile

CC(=C)CCC1(C=CCC(=C1)SC)C(=O)O

DOS

IR

Vibrations