Geometry & MOs

Info

ID:	424020
PubChem CID:	135121046
Reduced:	Cl2F3O3N5H16C23 (1)
Stoich.:	A2B3C3D5E16F23 (1)
Weight, g/mol:	539.078358
ΔH_f, kcal/mol:	-152.37
Dipole, Da:	5.23
IP(EA), eV:	-9.6(-2.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(NNC(=O)C1C2=CC=C(C=C2)Cl)CN3C=NC(=C(C3=O)OC4=CC(=CC(=C4)C#N)Cl)C(F)(F)F

DOS

IR

Vibrations