Geometry & MOs

Info

ID:

308808

PubChem CID:

126522748

Reduced:

OSN6H24C29 (1)

Stoich.:

ABC6D24E29 (1)

Weight, g/mol:

427.15939

ΔHf, kcal/mol:

154.79

Dipole, Da:

5.42

IP(EA), eV:

 -8.4(-1.73)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;2-hydroxyethyl(trimethyl)azanium

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=CC=NC3=N/C(=C/4\C5=C(C=CC(=C5)C6=CC(=CN=C6)NC(=O)C7CCC7)NN4)/C=C23

DOS

IR

Vibrations