Geometry & MOs

Info

ID:	88884
PubChem CID:	49957379
Reduced:	SN2O3C19H22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	278.083747
ΔH_f, kcal/mol:	-66.34
Dipole, Da:	3.79
IP(EA), eV:	-8.8(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methylsulfonyl-4-propyl-[1,2,4]triazolo[4,3-a]benzimidazole

Drug info:

PubChemData

Smile

CCCN1C2=CC=CC=C2N=C1S(=O)(=O)CCOC3=CC=CC=C3C

DOS

IR

Vibrations