Geometry & MOs

Info

ID:	306190
PubChem CID:	125002376
Reduced:	SO3N5C12H19 (1)
Stoich.:	AB3C5D12E19 (1)
Weight, g/mol:	329.185175
ΔH_f, kcal/mol:	-87.64
Dipole, Da:	5.64
IP(EA), eV:	-8.92(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one

Drug info:

PubChemData

Smile

CNC(=O)[C@H]1CN(CCN(C1)S(=O)(=O)C)C2=NC=CC=N2

DOS

IR

Vibrations