Geometry & MOs

Info

ID:

424062

PubChem CID:

135121168

Reduced:

Cl2F3O3N5H16C23 (1)

Stoich.:

A2B3C3D5E16F23 (1)

Weight, g/mol:

538.053478

ΔHf, kcal/mol:

-166.71

Dipole, Da:

7.98

IP(EA), eV:

 -9.73(-1.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-chloro-5-[1-[[2-(6-chloropyridin-3-yl)-4-oxo-1,3-diazinan-5-yl]methyl]-6-oxo-4-(trifluoromethyl)pyrimidin-5-yl]oxybenzonitrile

Drug info:

PubChemData

Smile

C1C(C(=O)NC(N1)C2=CC=C(C=C2)Cl)CN3C=NC(=C(C3=O)OC4=CC(=CC(=C4)C#N)Cl)C(F)(F)F

DOS

IR

Vibrations