Geometry & MOs

Info

ID:	411377
PubChem CID:	135084200
Reduced:	O2C11H16 (1)
Stoich.:	A2B11C16 (1)
Weight, g/mol:	226.012222
ΔH_f, kcal/mol:	-57.82
Dipole, Da:	1.75
IP(EA), eV:	-10.09(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R)-2-benzylidene-1,3-dithiolane 1,3-dioxide

Drug info:

PubChemData

Smile

C/C=C/C(C#C)OC(=O)C(C)(C)C

DOS

IR

Vibrations