Geometry & MOs

Info

ID:	231684
PubChem CID:	87574444
Reduced:	O4C7H8 (1)
Stoich.:	A4B7C8 (1)
Weight, g/mol:	618.09449
ΔH_f, kcal/mol:	-142.08
Dipole, Da:	3.93
IP(EA), eV:	-10.92(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-butylphenyl)-diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

Drug info:

PubChemData

Smile

CC(=O)OCC#CCC(=O)O

DOS

IR

Vibrations