Geometry & MOs

Info

ID:	52992
PubChem CID:	14709360
Reduced:	NOH21C25 (1)
Stoich.:	ABC21D25 (1)
Weight, g/mol:	400.068885
ΔH_f, kcal/mol:	70.05
Dipole, Da:	7.07
IP(EA), eV:	-8.42(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-1-[4-(5-hydroxy-6-methyl-2,4-dioxopyrimidin-1-yl)-1,1-dioxothiolan-3-yl]-6-methylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C#C[C@@H](C)N2C3=CC=CC=C3C(=O)C4=CC=CC=C42)C

DOS

IR

Vibrations