Geometry & MOs

Info

ID:	339055
PubChem CID:	127260066
Reduced:	NSO5H17C20 (1)
Stoich.:	ABC5D17E20 (1)
Weight, g/mol:	472.138959
ΔH_f, kcal/mol:	-91.15
Dipole, Da:	2.82
IP(EA), eV:	-9.39(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[10-(benzenesulfonyloxy)-7-fluorodecyl] benzenesulfonate

Drug info:

PubChemData

Smile

CCC1=C2C(=C(C=C1)OS(=O)(=O)C3=CC=CC=C3)C(=O)C=C(C2=O)N4CC4

DOS

IR

Vibrations