Geometry & MOs

Info

ID:	298368
PubChem CID:	117648677
Reduced:	S2N6O9C23H24 (1)
Stoich.:	A2B6C9D23E24 (1)
Weight, g/mol:	267.132934
ΔH_f, kcal/mol:	-231.39
Dipole, Da:	8.99
IP(EA), eV:	-9.26(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,4S,5R)-5-[(1R)-1-deuteriobut-3-enyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC=C1N=NC2=CC(=C(C(=C2N)N=NC3=C(C=CC(=C3)S(=O)(=O)CCO)CO)N)S(=O)(=O)O

DOS

IR

Vibrations