Geometry & MOs

Info

ID:	301548
PubChem CID:	123085234
Reduced:	ClSF4N4H17C24 (1)
Stoich.:	ABC4D4E17F24 (1)
Weight, g/mol:	480.118688
ΔH_f, kcal/mol:	-57.33
Dipole, Da:	6.76
IP(EA), eV:	-8.78(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-benzyl-5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(4-ethoxyphenyl)methanimine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=NN=C(N2/N=C\C3=CC(=CC=C3)C(F)(F)F)SCC4=C(C=CC=C4Cl)F

DOS

IR

Vibrations