Geometry & MOs

Info

ID:	356447
PubChem CID:	127291520
Reduced:	SN4O4C18H24 (1)
Stoich.:	AB4C4D18E24 (1)
Weight, g/mol:	351.116524
ΔH_f, kcal/mol:	-91.58
Dipole, Da:	8.61
IP(EA), eV:	-8.76(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC(C2)C3=NN=C4N3CCC4

DOS

IR

Vibrations