Geometry & MOs

Info

ID:	145525
PubChem CID:	53538043
Reduced:	SN3O6C20H29 (1)
Stoich.:	AB3C6D20E29 (1)
Weight, g/mol:	348.216141
ΔH_f, kcal/mol:	-172.13
Dipole, Da:	5.49
IP(EA), eV:	-9.27(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-5-oxo-N-[2-(5-propyl-1,2,4-oxadiazol-3-yl)propan-2-yl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC(C3)C4OCCO4)[N+](=O)[O-]

DOS

IR

Vibrations