Geometry & MOs

Info

ID:

141720

PubChem CID:

52921556

Reduced:

N3O4H19C23 (1)

Stoich.:

A3B4C19D23 (1)

Weight, g/mol:

591.086656

ΔHf, kcal/mol:

-52.01

Dipole, Da:

6.87

IP(EA), eV:

 -9.4(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,4S,5S,6S)-3-acetamido-4,5-dihydroxy-6-methyloxan-2-yl] [[(2R,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate

Drug info:

PubChemData

Smile

COC(=O)C1=NC2=C(C=C1C(=O)C3=CC=CC=C3O)N=CN2CCC4=CC=CC=C4

DOS

IR

Vibrations