Geometry & MOs

Info

ID:	301387
PubChem CID:	123080652
Reduced:	ClSO2N4C24H29 (1)
Stoich.:	ABC2D4E24F29 (1)
Weight, g/mol:	456.17506
ΔH_f, kcal/mol:	20.43
Dipole, Da:	6.37
IP(EA), eV:	-8.72(-0.92)
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-[2-(2-methylpropoxy)phenyl]methanimine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations