Geometry & MOs

Info

ID:

47350

PubChem CID:

10531747

Reduced:

SO14C26H38 (1)

Stoich.:

AB14C26D38 (1)

Weight, g/mol:

607.173817

ΔHf, kcal/mol:

-640.23

Dipole, Da:

2.94

IP(EA), eV:

 -8.88(0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

diazanium;(2R,4S,5R,6R)-2-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4,5-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)SC[C@]23[C@H]([C@H]4[C@@H](CO2)OC(O4)(C)C)OC(O3)(C)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations