Geometry & MOs

Info

ID:	88875
PubChem CID:	49957370
Reduced:	OSN4C20H22 (1)
Stoich.:	ABC4D20E22 (1)
Weight, g/mol:	398.141262
ΔH_f, kcal/mol:	69.32
Dipole, Da:	5.95
IP(EA), eV:	-8.53(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C2=CC=CC=C2N3C1=NN=C3SCCOC4=CC=CC=C4C

DOS

IR

Vibrations