Geometry & MOs

Info

ID:	360746
PubChem CID:	127301391
Reduced:	SN2O3C12H20 (1)
Stoich.:	AB2C3D12E20 (1)
Weight, g/mol:	230.072513
ΔH_f, kcal/mol:	-93.67
Dipole, Da:	4.37
IP(EA), eV:	-9.72(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-(pyrrolidin-1-ylsulfonylmethyl)-1,2-oxazole

Drug info:

PubChemData

Smile

CCC1CCCCN1S(=O)(=O)CC2=CC(=NO2)C

DOS

IR

Vibrations