Geometry & MOs

Info

ID:	409272
PubChem CID:	135082052
Reduced:	S2O6C37H42 (1)
Stoich.:	A2B6C37D42 (1)
Weight, g/mol:	282.072436
ΔH_f, kcal/mol:	-157.66
Dipole, Da:	3.44
IP(EA), eV:	-8.29(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

lithium;1-methyl-4-[[(S)-(4-methylphenyl)sulfinyl]methylsulfanyl]benzene

Drug info:

PubChemData

Smile

CSC([C@]1([C@@H]([C@H]([C@@H](C(O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)O)SC

DOS

IR

Vibrations