Geometry & MOs

Info

ID:	382287
PubChem CID:	134973347
Reduced:	O3C6H10 (1)
Stoich.:	A3B6C10 (1)
Weight, g/mol:	436.069286
ΔH_f, kcal/mol:	-126.45
Dipole, Da:	0.79
IP(EA), eV:	-9.95(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-propan-2-yl 2-[4-(3-methyl-2-oxo-1-propan-2-ylsulfanylbutylidene)-1,3-dithietan-2-ylidene]-2-propan-2-ylsulfanylethanethioate

Drug info:

PubChemData

Smile

C[C@H]1OCC[C@H](O1)C=O

DOS

IR

Vibrations