Geometry & MOs

Info

ID:	301667
PubChem CID:	123090656
Reduced:	SCl2F3N4H17C24 (1)
Stoich.:	AB2C3D4E17F24 (1)
Weight, g/mol:	496.089138
ΔH_f, kcal/mol:	-18.66
Dipole, Da:	4.56
IP(EA), eV:	-8.94(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-benzyl-5-[(2,4-dichlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(3-ethoxyphenyl)methanimine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=NN=C(N2/N=C\C3=CC=C(C=C3)C(F)(F)F)SCC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations