Geometry & MOs

Info

ID:	27773
PubChem CID:	823496
Reduced:	ClSN3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	262.058971
ΔH_f, kcal/mol:	57.46
Dipole, Da:	1.7
IP(EA), eV:	-8.39(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetyl-6-hydroxy-1-(2-hydroxyphenyl)pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC(=NNC1=NC2=C(S1)CCCC2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations