Geometry & MOs

Info

ID:	424043
PubChem CID:	135121113
Reduced:	ClF3O3N6H8C18 (1)
Stoich.:	AB3C3D6E8F18 (1)
Weight, g/mol:	522.083029
ΔH_f, kcal/mol:	-75.81
Dipole, Da:	3.95
IP(EA), eV:	-10.12(-2.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-5-[1-[[5-(5-fluoropyridin-2-yl)-6-oxodiazinan-3-yl]methyl]-6-oxo-4-(trifluoromethyl)pyrimidin-5-yl]oxybenzonitrile

Drug info:

PubChemData

Smile

C1=C(N=NC(=O)C1C#N)CN2C=NC(=C(C2=O)OC3=CC(=CC(=C3)C#N)Cl)C(F)(F)F

DOS

IR

Vibrations