Geometry & MOs

Info

ID:	88886
PubChem CID:	49957382
Reduced:	SO2N4C13H16 (1)
Stoich.:	AB2C4D13E16 (1)
Weight, g/mol:	246.093918
ΔH_f, kcal/mol:	-2.66
Dipole, Da:	4.76
IP(EA), eV:	-8.93(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=NN=C2N1C3=CC=CC=C3N2C(C)C

DOS

IR

Vibrations