Geometry & MOs

Info

ID:

424030

PubChem CID:

135121068

Reduced:

ClO3F4N5H18C24 (1)

Stoich.:

AB3C4D5E18F24 (1)

Weight, g/mol:

551.098344

ΔHf, kcal/mol:

-197.87

Dipole, Da:

5.52

IP(EA), eV:

 -9.45(-2.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-chloro-5-[1-[[5-(3-fluoro-4-methoxyphenyl)-6-oxodiazinan-3-yl]methyl]-6-oxo-4-(trifluoromethyl)pyrimidin-5-yl]oxybenzonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)C2CC(NNC2=O)CN3C=NC(=C(C3=O)OC4=CC(=CC(=C4)C#N)Cl)C(F)(F)F

DOS

IR

Vibrations