Geometry & MOs

Info

ID:	88874
PubChem CID:	49957364
Reduced:	OSN4C22H26 (1)
Stoich.:	ABC4D22E26 (1)
Weight, g/mol:	366.151433
ΔH_f, kcal/mol:	55.42
Dipole, Da:	4.0
IP(EA), eV:	-8.31(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N3C1=NN=C3SCCOC4=C(C=C(C=C4)C)C(C)C

DOS

IR

Vibrations