Geometry & MOs

Info

ID:	349977
PubChem CID:	127276782
Reduced:	ClSO2N4C18H21 (1)
Stoich.:	ABC2D4E18F21 (1)
Weight, g/mol:	386.177647
ΔH_f, kcal/mol:	-1.97
Dipole, Da:	4.94
IP(EA), eV:	-9.03(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone

Drug info:

PubChemData

Smile

C1CC(N(C1)CC2=NC(=NO2)C3=CC=C(C=C3)Cl)C(=O)N4CCSCC4

DOS

IR

Vibrations