Geometry & MOs

Info

ID:	356441
PubChem CID:	127291514
Reduced:	ClSO2N5C17H18 (1)
Stoich.:	ABC2D5E17F18 (1)
Weight, g/mol:	388.13176
ΔH_f, kcal/mol:	15.98
Dipole, Da:	7.44
IP(EA), eV:	-9.83(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine

Drug info:

PubChemData

Smile

C1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C#N)C3=NN=C4N3CCC4

DOS

IR

Vibrations