Geometry & MOs

Info

ID:

424021

PubChem CID:

135121047

Reduced:

ClO3F5N5H15C23 (1)

Stoich.:

AB3C5D5E15F23 (1)

Weight, g/mol:

569.088923

ΔHf, kcal/mol:

-234.34

Dipole, Da:

4.41

IP(EA), eV:

 -9.7(-2.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-chloro-5-[1-[[5-[4-(difluoromethoxy)phenyl]-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)F)F)CN3C=NC(=C(C3=O)OC4=CC(=CC(=C4)C#N)Cl)C(F)(F)F

DOS

IR

Vibrations