Geometry & MOs

Info

ID:	424063
PubChem CID:	135121169
Reduced:	Cl2F3O3N6H15C22 (1)
Stoich.:	A2B3C3D6E15F22 (1)
Weight, g/mol:	466.040415
ΔH_f, kcal/mol:	-152.22
Dipole, Da:	7.84
IP(EA), eV:	-9.71(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[5-(3-chloro-5-cyanophenoxy)-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]methyl]-4-oxo-5H-pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations