Geometry & MOs

Info

ID:	301644
PubChem CID:	123089870
Reduced:	SO2Cl3N4H19C20 (1)
Stoich.:	AB2C3D4E19F20 (1)
Weight, g/mol:	418.078573
ΔH_f, kcal/mol:	21.6
Dipole, Da:	5.07
IP(EA), eV:	-8.93(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(4-tert-butylphenyl)-N-[3-[(2,4-dichlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methanimine

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=N\N2C=NN=C2SCC3=C(C=C(C=C3)Cl)Cl)Cl)OCC

DOS

IR

Vibrations