Geometry & MOs

Info

ID:	332633
PubChem CID:	127250919
Reduced:	O3N5C22H25 (1)
Stoich.:	A3B5C22D25 (1)
Weight, g/mol:	405.066238
ΔH_f, kcal/mol:	-8.09
Dipole, Da:	3.67
IP(EA), eV:	-9.21(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[1-(2-chlorophenyl)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)CCC4=CC=CC=C4OC

DOS

IR

Vibrations