Geometry & MOs

Info

ID:	368645
PubChem CID:	127329718
Reduced:	BrSN2O3C15H17 (1)
Stoich.:	ABC2D3E15F17 (1)
Weight, g/mol:	341.177313
ΔH_f, kcal/mol:	-39.69
Dipole, Da:	4.22
IP(EA), eV:	-9.57(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(2,5-dimethylpyrrolidin-1-yl)piperidin-1-yl]sulfonylmethyl]-5-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CS(=O)(=O)NC2(CCC2)C3=CC(=CC=C3)Br

DOS

IR

Vibrations