Geometry & MOs

Info

ID:	407535
PubChem CID:	135080282
Reduced:	O3C14H22 (1)
Stoich.:	A3B14C22 (1)
Weight, g/mol:	192.064257
ΔH_f, kcal/mol:	-112.79
Dipole, Da:	2.8
IP(EA), eV:	-10.07(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-2-(2-methylpropyl)-1,3-dithiane 1-oxide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations