Geometry & MOs

Info

ID:	53165
PubChem CID:	14709687
Reduced:	SO3C9H18 (1)
Stoich.:	AB3C9D18 (1)
Weight, g/mol:	160.055801
ΔH_f, kcal/mol:	-162.13
Dipole, Da:	2.82
IP(EA), eV:	-8.87(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-2,2-dimethylthian-4-one

Drug info:

PubChemData

Smile

CC1(CC(C(CS1)O)(OC)OC)C

DOS

IR

Vibrations