Geometry & MOs

Info

ID:	301568
PubChem CID:	123086151
Reduced:	SO2N4C26H34 (1)
Stoich.:	AB2C4D26E34 (1)
Weight, g/mol:	480.070901
ΔH_f, kcal/mol:	10.59
Dipole, Da:	6.31
IP(EA), eV:	-8.39(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-butyl-5-[(2,5-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(2,3,6-trichlorophenyl)methanimine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations