Geometry & MOs

Info

ID:

424022

PubChem CID:

135121048

Reduced:

ClO4F5N5H17C24 (1)

Stoich.:

AB4C5D5E17F24 (1)

Weight, g/mol:

539.078358

ΔHf, kcal/mol:

-288.09

Dipole, Da:

8.92

IP(EA), eV:

 -9.52(-2.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

DOS

IR

Vibrations