Geometry & MOs

Info

ID:	301565
PubChem CID:	123085982
Reduced:	SO2N4C27H36 (1)
Stoich.:	AB2C4D27E36 (1)
Weight, g/mol:	494.271548
ΔH_f, kcal/mol:	0.44
Dipole, Da:	3.38
IP(EA), eV:	-8.52(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-[(2,5-dimethylphenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-yl]-1-(3-ethoxy-4-pentoxyphenyl)methanimine

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)/C=N\N2C(=NN=C2SCC3=C(C=CC(=C3)C)C)CCC)OCC

DOS

IR

Vibrations