Geometry & MOs

Info

ID:	389686
PubChem CID:	134994443
Reduced:	SO3C9H16 (1)
Stoich.:	AB3C9D16 (1)
Weight, g/mol:	270.038437
ΔH_f, kcal/mol:	-127.33
Dipole, Da:	2.21
IP(EA), eV:	-9.21(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3S)-2-[(4-methoxyphenyl)methylidene]-1,3-dithiane 1,3-dioxide

Drug info:

PubChemData

Smile

CC(C1(C(=O)C(S1)(C)C)OC)OC

DOS

IR

Vibrations