Geometry & MOs

Info

ID:	349972
PubChem CID:	127276777
Reduced:	SO2N4C13H20 (1)
Stoich.:	AB2C4D13E20 (1)
Weight, g/mol:	372.161997
ΔH_f, kcal/mol:	-28.93
Dipole, Da:	2.92
IP(EA), eV:	-8.73(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCCC2C(=O)N3CCSCC3

DOS

IR

Vibrations