Geometry & MOs

Info

ID:	83927
PubChem CID:	49862586
Reduced:	FO2N5C26H32 (1)
Stoich.:	AB2C5D26E32 (1)
Weight, g/mol:	428.278741
ΔH_f, kcal/mol:	-80.6
Dipole, Da:	4.48
IP(EA), eV:	-9.03(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-N-[(1S)-1-[4-(5-heptyl-1,2,4-oxadiazol-3-yl)phenyl]-2-methylpropyl]-3-hydroxypyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)N[C@@H](CCN2C[C@@H]3CN(C[C@@H]3C2)C(=O)C4=NC=CN=C4)C5=CC(=CC=C5)F

DOS

IR

Vibrations