Geometry & MOs

Info

ID:	387634
PubChem CID:	134986249
Reduced:	O2C13H20 (1)
Stoich.:	A2B13C20 (1)
Weight, g/mol:	212.032957
ΔH_f, kcal/mol:	-104.44
Dipole, Da:	3.49
IP(EA), eV:	-9.71(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2-phenyl-1,3-dithiane 1-oxide

Drug info:

PubChemData

Smile

CC(=O)C/C(=C\C1CCCCC1)/C(=O)C

DOS

IR

Vibrations