Geometry & MOs

Info

ID:	11245
PubChem CID:	112396
Reduced:	NSO5C10H12F13 (1)
Stoich.:	ABC5D10E12F13 (1)
Weight, g/mol:	505.02286
ΔH_f, kcal/mol:	-857.72
Dipole, Da:	3.48
IP(EA), eV:	-9.55(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-hydroxyethylamino)ethanol;1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonic acid

Drug info:

PubChemData

Smile

C(CO)NCCO.C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F

DOS

IR

Vibrations