Geometry & MOs

Info

ID:	301237
PubChem CID:	123071357
Reduced:	FSN4C20H21 (1)
Stoich.:	ABC4D20E21 (1)
Weight, g/mol:	427.983229
ΔH_f, kcal/mol:	65.93
Dipole, Da:	9.34
IP(EA), eV:	-8.8(-1.05)
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-(2,3,6-trichlorophenyl)methanimine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations