Geometry & MOs

Info

ID:	243938
PubChem CID:	99302925
Reduced:	SO3N4C23H36 (1)
Stoich.:	AB3C4D23E36 (1)
Weight, g/mol:	428.242356
ΔH_f, kcal/mol:	-111.37
Dipole, Da:	3.86
IP(EA), eV:	-8.39(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoate

Drug info:

PubChemData

Smile

CCN1CCC[C@H]1CN(CCC(=O)OCC)C(=O)C2=CC3=C(S2)N(N=C3C)CC(C)C

DOS

IR

Vibrations