Geometry & MOs

Info

ID:

424037

PubChem CID:

135121087

Reduced:

ClO4F5N5H19C25 (1)

Stoich.:

AB4C5D5E19F25 (1)

Weight, g/mol:

581.074752

ΔHf, kcal/mol:

-296.39

Dipole, Da:

7.17

IP(EA), eV:

 -9.82(-2.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-chloro-5-[1-[[5-(3-methylsulfonylphenyl)-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)C(C(F)F)O)CN3C=NC(=C(C3=O)OC4=CC(=CC(=C4)C#N)Cl)C(F)(F)F

DOS

IR

Vibrations