Geometry & MOs

Info

ID:	301477
PubChem CID:	123081199
Reduced:	SCl2O2N4C22H24 (1)
Stoich.:	AB2C2D4E22F24 (1)
Weight, g/mol:	434.073488
ΔH_f, kcal/mol:	21.14
Dipole, Da:	5.46
IP(EA), eV:	-8.72(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)/C=N\N2C(=NN=C2SCC3=CC(=C(C=C3)Cl)Cl)C)OCC

DOS

IR

Vibrations