Geometry & MOs

Info

ID:	27734
PubChem CID:	823326
Reduced:	OSN4H8C14 (1)
Stoich.:	ABC4D8E14 (1)
Weight, g/mol:	320.083078
ΔH_f, kcal/mol:	89.09
Dipole, Da:	1.98
IP(EA), eV:	-9.3(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-acetyl-2-ethoxyphenyl)methylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C=N2)C3=CC4=NSN=C4C=C3

DOS

IR

Vibrations