Geometry & MOs

Info

ID:	249521
PubChem CID:	103090189
Reduced:	SO3C9H16 (1)
Stoich.:	AB3C9D16 (1)
Weight, g/mol:	206.097666
ΔH_f, kcal/mol:	-147.12
Dipole, Da:	2.76
IP(EA), eV:	-8.7(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-hydroxy-7-methylsulfanylheptanoate

Drug info:

PubChemData

Smile

CC(CC(=O)O)C(=O)CCCSC

DOS

IR

Vibrations