Geometry & MOs

Info

ID:

297964

PubChem CID:

117636687

Reduced:

PN5O9C10H12 (1)

Stoich.:

AB5C9D10E12 (1)

Weight, g/mol:

623.27892

ΔHf, kcal/mol:

-350.38

Dipole, Da:

11.77

IP(EA), eV:

 -9.18(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R)-2-[(1R,2S)-1-[(2R,3S,5S)-3-acetamido-2-butoxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-acetyloxypropoxy]-3,4-diacetyloxybutyl] acetate

Drug info:

PubChemData

Smile

C1[C@@H]2[C@@H](C3([C@@]4(O3)[C@@](O2)(NC5=C(N4)C(=O)N=C(N5)N)O)O)OP(=O)(O1)O

DOS

IR

Vibrations