Geometry & MOs

Info

ID:	444066
PubChem CID:	135261208
Reduced:	FO3N5C28H34 (1)
Stoich.:	AB3C5D28E34 (1)
Weight, g/mol:	333.947506
ΔH_f, kcal/mol:	-121.27
Dipole, Da:	2.5
IP(EA), eV:	-8.53(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phosphanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

Drug info:

PubChemData

Smile

CC1=CNC2=NC=CC(=C12)OC3=C(C=C(C=C3)C[C@@H](C(=O)N4CCN(CC4)C(=O)C5CCCCC5)N)F

DOS

IR

Vibrations