Geometry & MOs

Info

ID:	301652
PubChem CID:	123090163
Reduced:	SCl2O3N4C23H26 (1)
Stoich.:	AB2C3D4E23F26 (1)
Weight, g/mol:	540.115353
ΔH_f, kcal/mol:	-13.52
Dipole, Da:	7.68
IP(EA), eV:	-8.53(-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-methoxy-4-phenylmethoxyphenyl)methanimine

Drug info:

PubChemData

Smile

CCCC1=NN=C(N1/N=C\C2=CC(=C(C(=C2)OC)OCC)OC)SCC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations