Geometry & MOs

Info

ID:	249538
PubChem CID:	103090333
Reduced:	ClNOSC8H16 (1)
Stoich.:	ABCDE8F16 (1)
Weight, g/mol:	178.066365
ΔH_f, kcal/mol:	-68.94
Dipole, Da:	4.38
IP(EA), eV:	-8.66(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-6-methylsulfanylhexanoic acid

Drug info:

PubChemData

Smile

CN(C)C(=O)C(CCCSC)Cl

DOS

IR

Vibrations