Geometry & MOs

Info

ID:	301658
PubChem CID:	123090181
Reduced:	OSCl3N4H23C26 (1)
Stoich.:	ABC3D4E23F26 (1)
Weight, g/mol:	523.084781
ΔH_f, kcal/mol:	78.73
Dipole, Da:	4.07
IP(EA), eV:	-8.97(-1.06)
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-(4-ethoxy-3-methoxy-5-nitrophenyl)methanimine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations