Geometry & MOs

Info

ID:	356449
PubChem CID:	127291522
Reduced:	SO3N4C19H26 (1)
Stoich.:	AB3C4D19E26 (1)
Weight, g/mol:	374.141262
ΔH_f, kcal/mol:	-73.18
Dipole, Da:	7.99
IP(EA), eV:	-9.26(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)piperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)S(=O)(=O)N2CCCC(C2)C3=NN=C4N3CCC4)C

DOS

IR

Vibrations