Geometry & MOs

Info

ID:

518

PubChem CID:

2917

Reduced:

PN3O15C17H26 (1)

Stoich.:

AB3C15D17E26 (1)

Weight, g/mol:

543.110154

ΔHf, kcal/mol:

-701.97

Dipole, Da:

1.92

IP(EA), eV:

 -9.81(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-6-(1,2-dihydroxyethyl)-4,5-dihydroxyoxane-2-carboxylic acid

Drug info:

PubChemData

Smile

C1C(C(C(OC1(C(=O)O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)O)O)C(CO)O)O)O

DOS

IR

Vibrations