Geometry & MOs

Info

ID:

424033

PubChem CID:

135121072

Reduced:

ClF3O3N6H16C24 (1)

Stoich.:

AB3C3D6E16F24 (1)

Weight, g/mol:

551.098344

ΔHf, kcal/mol:

-111.66

Dipole, Da:

3.79

IP(EA), eV:

 -10.11(-2.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations