Geometry & MOs

Info

ID:	396757
PubChem CID:	135029154
Reduced:	ClN4O4H9C19 (1)
Stoich.:	AB4C4D9E19 (1)
Weight, g/mol:	355.017871
ΔH_f, kcal/mol:	111.23
Dipole, Da:	5.91
IP(EA), eV:	-10.19(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	-3

Chem-info

IUPAC name:

[(2R,3R,4S)-2,3,4,5-tetrahydroxy-5-(6-oxido-2,4-dioxo-1H-pyrimidin-5-yl)pentyl] phosphate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1[C@H]2[C@@]3(C2(C#N)C#N)C(=NOC3=O)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

DOS

IR

Vibrations