Geometry & MOs

Info

ID:	227031
PubChem CID:	87559799
Reduced:	NC6O7H13 (1)
Stoich.:	AB6C7D13 (1)
Weight, g/mol:	494.138565
ΔH_f, kcal/mol:	-287.29
Dipole, Da:	3.12
IP(EA), eV:	-10.57(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4-tert-butylphenyl)-diphenyl-lambda4-sulfanyl] 4-fluorobenzenesulfonate

Drug info:

PubChemData

Smile

C(C(C(C(C(C(=O)ON)O)O)O)O)O

DOS

IR

Vibrations