Geometry & MOs

Info

ID:	301311
PubChem CID:	123071431
Reduced:	FOSN4C21H23 (1)
Stoich.:	ABCD4E21F23 (1)
Weight, g/mol:	412.173311
ΔH_f, kcal/mol:	25.51
Dipole, Da:	8.18
IP(EA), eV:	-8.92(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations