Geometry & MOs

Info

ID:	205853
PubChem CID:	80165148
Reduced:	ON4C15H18 (1)
Stoich.:	AB4C15D18 (1)
Weight, g/mol:	280.068177
ΔH_f, kcal/mol:	21.55
Dipole, Da:	2.37
IP(EA), eV:	-8.13(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-fluoro-2-(1-hydroxyethyl)-5-methylphenyl]sulfanyl-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

CC(CCC1=CC=CO1)NC2=NC3=C(N2)C=C(C=C3)N

DOS

IR

Vibrations