Geometry & MOs

Info

ID:	301425
PubChem CID:	123080746
Reduced:	ClOSN4C22H25 (1)
Stoich.:	ABCD4E22F25 (1)
Weight, g/mol:	426.164496
ΔH_f, kcal/mol:	58.8
Dipole, Da:	6.78
IP(EA), eV:	-8.71(-1.07)
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-propan-2-ylphenyl)methanimine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations