Geometry & MOs

Info

ID:	88870
PubChem CID:	49957344
Reduced:	ClOSN4C19H19 (1)
Stoich.:	ABCD4E19F19 (1)
Weight, g/mol:	352.135782
ΔH_f, kcal/mol:	65.75
Dipole, Da:	3.92
IP(EA), eV:	-8.47(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-phenoxyethylsulfanyl)-4-propyl-[1,2,4]triazolo[4,3-a]benzimidazole

Drug info:

PubChemData

Smile

CCCN1C2=CC=CC=C2N3C1=NN=C3SCCOC4=CC=C(C=C4)Cl

DOS

IR

Vibrations