Geometry & MOs

Info

ID:	354916
PubChem CID:	127287676
Reduced:	SO2N4C17H26 (1)
Stoich.:	AB2C4D17E26 (1)
Weight, g/mol:	292.099397
ΔH_f, kcal/mol:	-54.66
Dipole, Da:	5.68
IP(EA), eV:	-8.97(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1-propan-2-ylpyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)N1C=CC(=O)N=C1SCC(=O)NC2CCN(CC2)C3CC3

DOS

IR

Vibrations