Geometry & MOs

Info

ID:	301238
PubChem CID:	123071358
Reduced:	FSCl3N4H12C17 (1)
Stoich.:	ABC3D4E12F17 (1)
Weight, g/mol:	340.115796
ΔH_f, kcal/mol:	61.83
Dipole, Da:	5.65
IP(EA), eV:	-8.79(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(N1/N=C\C2=C(C=CC(=C2Cl)Cl)Cl)SCC3=CC=C(C=C3)F

DOS

IR

Vibrations