Geometry & MOs

Info

ID:	164717
PubChem CID:	74442726
Reduced:	SO3N4C24H24 (1)
Stoich.:	AB3C4D24E24 (1)
Weight, g/mol:	406.211724
ΔH_f, kcal/mol:	10.73
Dipole, Da:	3.22
IP(EA), eV:	-9.18(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-[1-methyl-5-(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=N2)C3CC(CN3C)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations