Geometry & MOs

Info

ID:

424036

PubChem CID:

135121086

Reduced:

ClO3F4N6H15C24 (1)

Stoich.:

AB3C4D6E15F24 (1)

Weight, g/mol:

583.104573

ΔHf, kcal/mol:

-155.81

Dipole, Da:

8.44

IP(EA), eV:

 -10.01(-2.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-chloro-5-[1-[[5-[4-(2,2-difluoro-1-hydroxyethyl)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)C#N)F)CN3C=NC(=C(C3=O)OC4=CC(=CC(=C4)C#N)Cl)C(F)(F)F

DOS

IR

Vibrations