Geometry & MOs

Info

ID:	424071
PubChem CID:	135121189
Reduced:	ClO3N4F5H10C19 (1)
Stoich.:	AB3C4D5E10F19 (1)
Weight, g/mol:	467.040829
ΔH_f, kcal/mol:	-229.67
Dipole, Da:	4.29
IP(EA), eV:	-9.94(-2.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-5-[4-(1,1-difluoroethyl)-1-[[6-(difluoromethylidene)-3-oxopyridazin-4-yl]methyl]-6-oxopyrimidin-5-yl]oxybenzonitrile

Drug info:

PubChemData

Smile

C1=CN(C(=O)C(=C1C(F)(F)F)OC2=CC(=CC(=C2)C#N)Cl)CC3C=C(N=NC3=O)C(F)F

DOS

IR

Vibrations