Geometry & MOs

Info

ID:	249518
PubChem CID:	103090184
Reduced:	SO3C8H14 (1)
Stoich.:	AB3C8D14 (1)
Weight, g/mol:	218.097666
ΔH_f, kcal/mol:	-147.55
Dipole, Da:	7.91
IP(EA), eV:	-8.89(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methyl-7-methylsulfanyl-4-oxoheptanoate

Drug info:

PubChemData

Smile

CSCCCC(=O)CCC(=O)O

DOS

IR

Vibrations