Geometry & MOs

Info

ID:	232944
PubChem CID:	87577784
Reduced:	PNa2O6C10H11 (1)
Stoich.:	AB2C6D10E11 (1)
Weight, g/mol:	378.97639
ΔH_f, kcal/mol:	-370.66
Dipole, Da:	19.59
IP(EA), eV:	-8.46(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]thiourea;hydroiodide

Drug info:

PubChemData

Smile

C=CCC(C(=O)[O-])C(CC=C)(C(=O)[O-])P(=O)=O.[Na+].[Na+]

DOS

IR

Vibrations