Geometry & MOs

Info

ID:	402266
PubChem CID:	135055272
Reduced:	SN2O2C15H20 (1)
Stoich.:	AB2C2D15E20 (1)
Weight, g/mol:	196.040545
ΔH_f, kcal/mol:	-51.47
Dipole, Da:	8.05
IP(EA), eV:	-10.23(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-1,3,4,5-tetrahydroxy-6-sulfanylhexan-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C#N)C2CCCCC2

DOS

IR

Vibrations