Geometry & MOs

Info

ID:	356452
PubChem CID:	127291525
Reduced:	SO3N4C17H22 (1)
Stoich.:	AB3C4D17E22 (1)
Weight, g/mol:	376.13176
ΔH_f, kcal/mol:	-54.82
Dipole, Da:	9.6
IP(EA), eV:	-9.23(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine

Drug info:

PubChemData

Smile

CCN1C=NN=C1C2CCCN(C2)S(=O)(=O)C3=CC4=C(COC4)C=C3

DOS

IR

Vibrations