Geometry & MOs

Info

ID:	301319
PubChem CID:	123071439
Reduced:	FSO2N4C24H29 (1)
Stoich.:	ABC2D4E24F29 (1)
Weight, g/mol:	456.199526
ΔH_f, kcal/mol:	-19.25
Dipole, Da:	4.67
IP(EA), eV:	-8.54(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCOC1=C(C=C(C=C1)/C=N\N2C(=NN=C2SCC3=CC=C(C=C3)F)CC)OC

DOS

IR

Vibrations