Geometry & MOs

Info

ID:	242264
PubChem CID:	96099721
Reduced:	SN4O4C14H22 (1)
Stoich.:	AB4C4D14E22 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	-117.87
Dipole, Da:	6.61
IP(EA), eV:	-9.53(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)[C@H]2CCCN2C(=O)CCN3CCCS3(=O)=O

DOS

IR

Vibrations