Geometry & MOs

Info

ID:	301227
PubChem CID:	123071346
Reduced:	FSN4C21H23 (1)
Stoich.:	ABC4D21E23 (1)
Weight, g/mol:	340.115796
ΔH_f, kcal/mol:	60.8
Dipole, Da:	9.51
IP(EA), eV:	-8.81(-1.04)
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-(2-methylphenyl)methanimine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations