Geometry & MOs

Info

ID:	301470
PubChem CID:	123080892
Reduced:	ClSF3N4H18C24 (1)
Stoich.:	ABC3D4E18F24 (1)
Weight, g/mol:	436.092474
ΔH_f, kcal/mol:	-9.55
Dipole, Da:	5.95
IP(EA), eV:	-8.86(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-benzyl-5-[(3-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(2-fluorophenyl)methanimine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=NN=C(N2/N=C\C3=CC=CC=C3C(F)(F)F)SCC4=CC(=CC=C4)Cl

DOS

IR

Vibrations