Geometry & MOs

Info

ID:	88877
PubChem CID:	49957372
Reduced:	SO3N4C19H20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	418.086639
ΔH_f, kcal/mol:	-6.34
Dipole, Da:	7.76
IP(EA), eV:	-8.95(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C2=CC=CC=C2N3C1=NN=C3S(=O)(=O)CCOC4=CC=CC=C4

DOS

IR

Vibrations