Geometry & MOs

Info

ID:	424069
PubChem CID:	135121187
Reduced:	ClF3O3N5H19C24 (1)
Stoich.:	AB3C3D5E19F24 (1)
Weight, g/mol:	501.142402
ΔH_f, kcal/mol:	-148.47
Dipole, Da:	8.76
IP(EA), eV:	-9.49(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(1,1-difluoroethyl)-1-[[5-(4-fluorophenyl)-6-oxodiazinan-3-yl]methyl]-6-oxopyrimidin-5-yl]oxy-2-fluorobenzonitrile

Drug info:

PubChemData

Smile

CC(C1=C(C(=O)N(C=N1)CC2CC(C(=O)NN2)C3=CC=C(C=C3)F)OC4=CC(=CC(=C4)C#N)Cl)(F)F

DOS

IR

Vibrations