Geometry & MOs

Info

ID:	329396
PubChem CID:	126736110
Reduced:	OSN4F6H10C16 (1)
Stoich.:	ABC4D6E10F16 (1)
Weight, g/mol:	398.05798
ΔH_f, kcal/mol:	-233.58
Dipole, Da:	1.73
IP(EA), eV:	-9.32(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-ethylsulfanyl-2-[1-methyl-5-[5-(trifluoromethyl)pyridin-3-yl]pyrazol-3-yl]pyridine

Drug info:

PubChemData

Smile

CCSC1=C(N=CC(=C1)C(F)(F)F)C2=NN=C(O2)C3=NC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations