Geometry & MOs

Info

ID:	354967
PubChem CID:	127287828
Reduced:	SN4O4C16H28 (1)
Stoich.:	AB4C4D16E28 (1)
Weight, g/mol:	383.19574
ΔH_f, kcal/mol:	-180.22
Dipole, Da:	3.67
IP(EA), eV:	-9.41(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CN(C1CCCCC1)S(=O)(=O)N2CCN(CC2)C(=O)[C@H]3CCC(=O)N3

DOS

IR

Vibrations