Geometry & MOs

Info

ID:	332629
PubChem CID:	127250915
Reduced:	O4N5C21H23 (1)
Stoich.:	A4B5C21D23 (1)
Weight, g/mol:	401.115775
ΔH_f, kcal/mol:	-38.55
Dipole, Da:	2.92
IP(EA), eV:	-8.97(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[1-(4-methoxyphenyl)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=C(C=CC=C4OC)OC

DOS

IR

Vibrations