Geometry & MOs

Info

ID:	268016
PubChem CID:	103596014
Reduced:	Cl2F3N5H10C14 (1)
Stoich.:	A2B3C5D10E14 (1)
Weight, g/mol:	393.057039
ΔH_f, kcal/mol:	-86.76
Dipole, Da:	4.55
IP(EA), eV:	-8.91(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[5-fluoro-2-[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]-6-methylpyrimidin-4-yl]sulfanylacetate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N)N2C(=NC=N2)C3=C(C=C(C=N3)C(F)(F)F)Cl.Cl

DOS

IR

Vibrations