Geometry & MOs

Info

ID:	225742
PubChem CID:	87225424
Reduced:	SN6O9H22C25 (1)
Stoich.:	AB6C9D22E25 (1)
Weight, g/mol:	317.001354
ΔH_f, kcal/mol:	-262.99
Dipole, Da:	11.7
IP(EA), eV:	-9.26(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1,1,1,5,5,5-hexafluoro-3-methoxycarbonylpentan-3-yl)oxy-hydroxy-oxophosphanium

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C(=N)N)N/C(=C/3\C=C(C=C(C3=O)C4=C(C=CC(=C4)S(=O)(=O)N)O)C(=O)N(CC(=O)O)CC(=O)O)/N2

DOS

IR

Vibrations