Geometry & MOs

Info

ID:	424055
PubChem CID:	135121153
Reduced:	ClF3O4N5H9C17 (1)
Stoich.:	AB3C4D5E9F17 (1)
Weight, g/mol:	521.03255
ΔH_f, kcal/mol:	-195.19
Dipole, Da:	3.96
IP(EA), eV:	-10.2(-2.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=NC(=O)NC(=O)C1CN2C=NC(=C(C2=O)OC3=CC(=CC(=C3)C#N)Cl)C(F)(F)F

DOS

IR

Vibrations