Geometry & MOs

Info

ID:	405155
PubChem CID:	135072792
Reduced:	NO2H25C27 (1)
Stoich.:	AB2C25D27 (1)
Weight, g/mol:	341.95217
ΔH_f, kcal/mol:	42.7
Dipole, Da:	2.84
IP(EA), eV:	-9.05(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)selenolan-2-yl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C/C(=C\C1=CC=CC=C1)/CN(CC#CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations