Geometry & MOs

Info

ID:	301415
PubChem CID:	123080721
Reduced:	ClOSN4C24H29 (1)
Stoich.:	ABCD4E24F29 (1)
Weight, g/mol:	456.17506
ΔH_f, kcal/mol:	48.92
Dipole, Da:	3.43
IP(EA), eV:	-8.8(-1.06)
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-(2-methylpropoxy)phenyl]methanimine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations