Geometry & MOs

Info

ID:	408131
PubChem CID:	135080891
Reduced:	NO4C11H21 (1)
Stoich.:	AB4C11D21 (1)
Weight, g/mol:	194.06128
ΔH_f, kcal/mol:	-195.6
Dipole, Da:	3.0
IP(EA), eV:	-9.13(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1,3,4-trihydroxy-6-methylsulfanylhexan-2-one

Drug info:

PubChemData

Smile

CCCOC(=O)CC(CN1CCOCC1)O

DOS

IR

Vibrations