Geometry & MOs

Info

ID:	360768
PubChem CID:	127301413
Reduced:	SO2N3C10H17 (1)
Stoich.:	AB2C3D10E17 (1)
Weight, g/mol:	295.099063
ΔH_f, kcal/mol:	-57.51
Dipole, Da:	5.21
IP(EA), eV:	-8.69(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-[(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonylmethyl]-1,2-oxazole

Drug info:

PubChemData

Smile

CCNS(=O)(=O)N1CCN2C=CC=C2C1C

DOS

IR

Vibrations