Geometry & MOs

Info

ID:	301421
PubChem CID:	123080732
Reduced:	ClSO2N4C23H27 (1)
Stoich.:	ABC2D4E23F27 (1)
Weight, g/mol:	514.216925
ΔH_f, kcal/mol:	23.09
Dipole, Da:	9.0
IP(EA), eV:	-8.55(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-butyl-5-[(3-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(4-hexoxy-3-methoxyphenyl)methanimine

Drug info:

PubChemData

Smile

CCCCC1=NN=C(N1/N=C\C2=C(C(=CC=C2)OCC)OC)SCC3=CC(=CC=C3)Cl

DOS

IR

Vibrations