Geometry & MOs

Info

ID:	131649
PubChem CID:	51238746
Reduced:	S2N3O3C13H17 (1)
Stoich.:	A2B3C3D13E17 (1)
Weight, g/mol:	386.195405
ΔH_f, kcal/mol:	-94.82
Dipole, Da:	4.87
IP(EA), eV:	-9.25(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(C=C(S1)C(=O)NNC(=O)CN2CCSC2=O)C

DOS

IR

Vibrations