Geometry & MOs

Info

ID:	431154
PubChem CID:	135171224
Reduced:	SF3O3N6H17C20 (1)
Stoich.:	AB3C3D6E17F20 (1)
Weight, g/mol:	445.047475
ΔH_f, kcal/mol:	-132.13
Dipole, Da:	4.68
IP(EA), eV:	-9.58(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-ethylsulfonyl-2-[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]pyridine

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=C(N=C(C=C1)N2C=NC=N2)N3C(=C(C=N3)C4=CC=C(C=C4)OC(F)(F)F)C

DOS

IR

Vibrations