Geometry & MOs

Info

ID:	298665
PubChem CID:	117653725
Reduced:	F3N3O4C23H30 (1)
Stoich.:	A3B3C4D23E30 (1)
Weight, g/mol:	257.966592
ΔH_f, kcal/mol:	-300.84
Dipole, Da:	7.67
IP(EA), eV:	-9.21(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propane-1,3-dithiol;trifluoromethanesulfonic acid

Drug info:

PubChemData

Smile

CN1C(=C(C(C(=C1CCN(C)C)C(=O)O)C2=CC=C(C=C2)C(F)(F)F)C(=O)O)CCN(C)C

DOS

IR

Vibrations