Geometry & MOs

Info

ID:	301229
PubChem CID:	123071348
Reduced:	FOSN4C20H21 (1)
Stoich.:	ABCD4E20F21 (1)
Weight, g/mol:	360.061173
ΔH_f, kcal/mol:	34.83
Dipole, Da:	10.57
IP(EA), eV:	-8.75(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=CC=CC=C1/C=N\N2C(=NN=C2SCC3=CC=C(C=C3)F)C

DOS

IR

Vibrations