Geometry & MOs

Info

ID:	424048
PubChem CID:	135121135
Reduced:	ClF3O3N5H11C20 (1)
Stoich.:	AB3C3D5E11F20 (1)
Weight, g/mol:	539.078358
ΔH_f, kcal/mol:	-78.91
Dipole, Da:	5.97
IP(EA), eV:	-9.92(-2.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1=C2C=C(C(=O)N=N2)CN3C=NC(=C(C3=O)OC4=CC(=CC(=C4)C#N)Cl)C(F)(F)F

DOS

IR

Vibrations