Geometry & MOs

Info

ID:	53732
PubChem CID:	14717825
Reduced:	BNaO8H36F48C56 (1)
Stoich.:	ABC8D36E48F56 (1)
Weight, g/mol:	460.301116
ΔH_f, kcal/mol:	-2854.97
Dipole, Da:	9.21
IP(EA), eV:	-9.53(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-di(nonyl)naphthalene-1-sulfonic acid

Drug info:

Smile

[B-](C1=CC(=CC(=C1)C(C(F)(F)F)(C(F)(F)F)OC)C(C(F)(F)F)(C(F)(F)F)OC)(C2=CC(=CC(=C2)C(C(F)(F)F)(C(F)(F)F)OC)C(C(F)(F)F)(C(F)(F)F)OC)(C3=CC(=CC(=C3)C(C(F)(F)F)(C(F)(F)F)OC)C(C(F)(F)F)(C(F)(F)F)OC)C4=CC(=CC(=C4)C(C(F)(F)F)(C(F)(F)F)OC)C(C(F)(F)F)(C(F)(F)F)OC.[Na+]

DOS

IR

Vibrations