Geometry & MOs

Info

ID:	301655
PubChem CID:	123090170
Reduced:	SCl2O2N4C28H28 (1)
Stoich.:	AB2C2D4E28F28 (1)
Weight, g/mol:	478.099703
ΔH_f, kcal/mol:	48.03
Dipole, Da:	7.14
IP(EA), eV:	-8.67(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=NN=C(N1/N=C\C2=CC(=C(C=C2)OCC3=CC=CC=C3)OCC)SCC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations