Geometry & MOs

Info

ID:	410842
PubChem CID:	135083643
Reduced:	O3C13H16 (1)
Stoich.:	A3B13C16 (1)
Weight, g/mol:	120.023099
ΔH_f, kcal/mol:	-38.71
Dipole, Da:	4.57
IP(EA), eV:	-9.65(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dilithium;propane-1,3-dithiolate

Drug info:

PubChemData

Smile

CCC#CC(C#COCC)OC(=O)C(=C)C

DOS

IR

Vibrations