Geometry & MOs

Info

ID:	19538
PubChem CID:	567032
Reduced:	SO2N3C17H29 (1)
Stoich.:	AB2C3D17E29 (1)
Weight, g/mol:	339.198048
ΔH_f, kcal/mol:	-104.75
Dipole, Da:	4.44
IP(EA), eV:	-8.94(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hexyl-4-hydroxy-2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

CCCCCCC1=C(N=C(NC1=O)SCCN2CCCCC2)O

DOS

IR

Vibrations