Geometry & MOs

Info

ID:	1218
PubChem CID:	4006
Reduced:	SO2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	288.049001
ΔH_f, kcal/mol:	-166.31
Dipole, Da:	2.29
IP(EA), eV:	-8.76(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dipropan-2-yl 2-(1,3-dithiol-2-ylidene)propanedioate

Drug info:

PubChemData

Smile

CC(C)OC(=O)C(=C1SC=CS1)C(=O)OC(C)C

DOS

IR

Vibrations