Geometry & MOs

Info

ID:

412496

PubChem CID:

135085391

Reduced:

P2N3C17O18H27 (1)

Stoich.:

A2B3C17D18E27 (1)

Weight, g/mol:

532.085928

ΔHf, kcal/mol:

-844.6

Dipole, Da:

10.51

IP(EA), eV:

 -10.31(-1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,4R,5S)-4,5-dihydroxy-6-methyloxan-2-yl] [hydroxy-[[(2R,3S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate

Drug info:

PubChemData

Smile

CC(=O)NC1[C@H](OC([C@H](C1O)O)CO)OOP(=O)(O)OP(=O)(O)OC[C@H]2[C@@H]([C@@H]([C@H](O2)N3C=CC(=O)NC3=O)O)O

DOS

IR

Vibrations