Geometry & MOs

Info

ID:	356444
PubChem CID:	127291517
Reduced:	SO2N6C15H22 (1)
Stoich.:	AB2C6D15E22 (1)
Weight, g/mol:	336.136845
ΔH_f, kcal/mol:	-14.84
Dipole, Da:	10.98
IP(EA), eV:	-9.16(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CN1C)S(=O)(=O)N2CCCC(C2)C3=NN=C4N3CCC4

DOS

IR

Vibrations