Geometry & MOs

Info

ID:

424027

PubChem CID:

135121061

Reduced:

Cl2O3F4N5H15C23 (1)

Stoich.:

A2B3C4D5E15F23 (1)

Weight, g/mol:

555.048807

ΔHf, kcal/mol:

-197.92

Dipole, Da:

6.91

IP(EA), eV:

 -9.65(-2.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations