Geometry & MOs

Info

ID:	228875
PubChem CID:	87566039
Reduced:	ClNO2F5H15C19 (1)
Stoich.:	ABC2D5E15F19 (1)
Weight, g/mol:	248.163243
ΔH_f, kcal/mol:	-303.47
Dipole, Da:	3.98
IP(EA), eV:	-9.14(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tridecane-1,3-dithiol

Drug info:

PubChemData

Smile

C1C(=CC2=C(C1=O)C=C3C=CC(=CC3=N2)Cl)OCCCCC(C(F)(F)F)(F)F

DOS

IR

Vibrations