Geometry & MOs

Info

ID:	137036
PubChem CID:	52142455
Reduced:	OSN2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	308.130697
ΔH_f, kcal/mol:	20.72
Dipole, Da:	2.52
IP(EA), eV:	-9.12(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-2-propyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCC1=NN=C(O1)SCCC2=CC=CC=C2

DOS

IR

Vibrations