Geometry & MOs

Info

ID:	230501
PubChem CID:	87571106
Reduced:	O3C11H12 (2)
Stoich.:	A3B11C12 (2)
Weight, g/mol:	583.34022
ΔH_f, kcal/mol:	-239.71
Dipole, Da:	1.51
IP(EA), eV:	-8.42(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[fluoro(octyl)sulfamoyl]-3-tridecylbenzenediazonium;tetrafluoroborate

Drug info:

PubChemData

Smile

C1C2CC3(CC1CC(C2)(C3)C4=CC(=C(C=C4O)O)O)C5=CC(=C(C=C5O)O)O

DOS

IR

Vibrations