Geometry & MOs

Info

ID:	301295
PubChem CID:	123071415
Reduced:	FSO2N4C28H37 (1)
Stoich.:	ABC2D4E28F37 (1)
Weight, g/mol:	370.126361
ΔH_f, kcal/mol:	-41.54
Dipole, Da:	3.66
IP(EA), eV:	-8.59(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCCOC1=C(C=C(C=C1)/C=N\N2C(=NN=C2SCC3=CC=C(C=C3)F)CC)OC

DOS

IR

Vibrations