Geometry & MOs

Info

ID:	370984
PubChem CID:	127341694
Reduced:	SO3N4C16H18 (1)
Stoich.:	AB3C4D16E18 (1)
Weight, g/mol:	361.120861
ΔH_f, kcal/mol:	-68.0
Dipole, Da:	6.31
IP(EA), eV:	-9.07(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)S(=O)(=O)N3CCN4C=CN=C4C3)NC(=O)C1

DOS

IR

Vibrations