Geometry & MOs

Info

ID:	424066
PubChem CID:	135121180
Reduced:	O4F5N5H10C18 (1)
Stoich.:	A4B5C5D10E18 (1)
Weight, g/mol:	519.13298
ΔH_f, kcal/mol:	-246.68
Dipole, Da:	8.27
IP(EA), eV:	-9.94(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-fluoro-3-isocyano-2-methylphenoxy)-3-[[5-(4-fluorophenyl)-6-oxodiazinan-3-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC(=O)N=NC1CN2C=NC(=C(C2=O)OC3=CC(=CC(=C3)C#N)OC(F)F)C(F)(F)F

DOS

IR

Vibrations