Geometry & MOs

Info

ID:	354913
PubChem CID:	127287673
Reduced:	SN3O3C14H21 (1)
Stoich.:	AB3C3D14E21 (1)
Weight, g/mol:	336.125612
ΔH_f, kcal/mol:	-118.53
Dipole, Da:	8.78
IP(EA), eV:	-9.4(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(oxan-4-yl)-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)NC2CCOCC2

DOS

IR

Vibrations