Geometry & MOs

Info

ID:	332635
PubChem CID:	127250921
Reduced:	ON3H10C11 (2)
Stoich.:	AB3C10D11 (2)
Weight, g/mol:	403.111439
ΔH_f, kcal/mol:	72.51
Dipole, Da:	3.47
IP(EA), eV:	-9.31(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]pyrimidin-5-yl]-5-methyl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CN=CN=C2C3CCN(C3)C(=O)C4=NC=CC5=CC=CC=C54

DOS

IR

Vibrations