Geometry & MOs

Info

ID:	356443
PubChem CID:	127291516
Reduced:	SO2N6C16H18 (1)
Stoich.:	AB2C6D16E18 (1)
Weight, g/mol:	350.152495
ΔH_f, kcal/mol:	38.15
Dipole, Da:	11.45
IP(EA), eV:	-9.85(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

Drug info:

PubChemData

Smile

C1CC(CN(C1)S(=O)(=O)C2=CN=C(C=C2)C#N)C3=NN=C4N3CCC4

DOS

IR

Vibrations