Geometry & MOs

Info

ID:	301686
PubChem CID:	123091690
Reduced:	SF4N4H20C25 (1)
Stoich.:	AB4C4D20E25 (1)
Weight, g/mol:	494.134338
ΔH_f, kcal/mol:	-54.09
Dipole, Da:	7.81
IP(EA), eV:	-9.0(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC2=NN=C(N2/N=C\C3=CC=C(C=C3)C(F)(F)F)SCC4=CC(=CC=C4)F

DOS

IR

Vibrations