Geometry & MOs

Info

ID:	387598
PubChem CID:	134986072
Reduced:	OS2C11H14 (1)
Stoich.:	AB2C11D14 (1)
Weight, g/mol:	290.064651
ΔH_f, kcal/mol:	0.98
Dipole, Da:	4.7
IP(EA), eV:	-8.22(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(E)-4-ethoxy-4-oxobut-2-en-2-yl]-1,3-dithiolane-2-carboxylate

Drug info:

PubChemData

Smile

C/C=C(\SC)/[S@](=O)C1=CC=C(C=C1)C

DOS

IR

Vibrations