Geometry & MOs

Info

ID:	407819
PubChem CID:	135080574
Reduced:	O3C11H18 (1)
Stoich.:	A3B11C18 (1)
Weight, g/mol:	232.095558
ΔH_f, kcal/mol:	-168.95
Dipole, Da:	4.13
IP(EA), eV:	-10.13(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-2-(cyclohexylmethyl)-1,3-dithiane 1-oxide

Drug info:

PubChemData

Smile

CC(=O)C[C@H]1CCC[C@]1(C)OC(=O)C

DOS

IR

Vibrations