Geometry & MOs

Info

ID:	356448
PubChem CID:	127291521
Reduced:	FSO2N5C15H18 (1)
Stoich.:	ABC2D5E15F18 (1)
Weight, g/mol:	390.172562
ΔH_f, kcal/mol:	-42.66
Dipole, Da:	10.28
IP(EA), eV:	-9.78(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(4-ethoxy-2-methylphenyl)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=CC(=C2)F)C3=NN=C4N3CCC4

DOS

IR

Vibrations