Geometry & MOs

Info

ID:	88876
PubChem CID:	49957371
Reduced:	SO3N4C20H22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	384.125612
ΔH_f, kcal/mol:	-15.69
Dipole, Da:	7.38
IP(EA), eV:	-8.78(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-phenoxyethylsulfonyl)-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=C4C

DOS

IR

Vibrations