Geometry & MOs

Info

ID:	301385
PubChem CID:	123080650
Reduced:	ClSO2N4C24H29 (1)
Stoich.:	ABC2D4E24F29 (1)
Weight, g/mol:	490.15941
ΔH_f, kcal/mol:	16.24
Dipole, Da:	5.97
IP(EA), eV:	-8.56(-0.72)
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-(phenoxymethyl)phenyl]methanimine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations