Geometry & MOs

Info

ID:

424038

PubChem CID:

135121088

Reduced:

ClSF3N5O5H19C24 (1)

Stoich.:

ABC3D5E5F19G24 (1)

Weight, g/mol:

503.072049

ΔHf, kcal/mol:

-226.75

Dipole, Da:

5.97

IP(EA), eV:

 -9.8(-2.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-chloro-5-[1-[[4-(1-methylpyrazol-4-yl)-3-oxo-4H-pyridazin-6-yl]methyl]-6-oxo-4-(trifluoromethyl)pyrimidin-5-yl]oxybenzonitrile

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=CC(=C1)C2CC(NNC2=O)CN3C=NC(=C(C3=O)OC4=CC(=CC(=C4)C#N)Cl)C(F)(F)F

DOS

IR

Vibrations