Geometry & MOs

Info

ID:	301399
PubChem CID:	123080686
Reduced:	ClSF3N4H20C21 (1)
Stoich.:	ABC3D4E20F21 (1)
Weight, g/mol:	476.120438
ΔH_f, kcal/mol:	-54.21
Dipole, Da:	4.85
IP(EA), eV:	-8.88(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-butyl-5-[(3-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(3-chloro-4-propoxyphenyl)methanimine

Drug info:

PubChemData

Smile

CCCCC1=NN=C(N1/N=C\C2=CC=C(C=C2)C(F)(F)F)SCC3=CC(=CC=C3)Cl

DOS

IR

Vibrations