Geometry & MOs

Info

ID:	155466
PubChem CID:	56365735
Reduced:	N2O3C29H34 (1)
Stoich.:	A2B3C29D34 (1)
Weight, g/mol:	456.219512
ΔH_f, kcal/mol:	-83.26
Dipole, Da:	6.65
IP(EA), eV:	-8.64(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzoylpiperidin-4-yl)-3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-N-propylpropanamide

Drug info:

PubChemData

Smile

CCCN(C1CCN(CC1)C(=O)C2=CC=CC=C2)C(=O)CCCOC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations