Geometry & MOs

Info

ID:	50357
PubChem CID:	12012879
Reduced:	SO3C13H16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	184.109944
ΔH_f, kcal/mol:	-108.08
Dipole, Da:	4.95
IP(EA), eV:	-9.86(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E)-2-[(5R)-5-methyloxolan-2-ylidene]propanoate

Drug info:

PubChemData

Smile

C[C@H]1C/C(=C\S(=O)(=O)C2=CC=CC=C2)/O[C@H]1C

DOS

IR

Vibrations