Geometry & MOs

Info

ID:	368663
PubChem CID:	127329736
Reduced:	SO3N5C12H17 (1)
Stoich.:	AB3C5D12E17 (1)
Weight, g/mol:	389.177313
ΔH_f, kcal/mol:	-33.92
Dipole, Da:	2.09
IP(EA), eV:	-9.52(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[4-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]sulfonylphenyl]-1,3-oxazole

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CS(=O)(=O)NC2CCC3=NC(=NN3C2)C

DOS

IR

Vibrations