Geometry & MOs

Info

ID:

322534

PubChem CID:

126670421

Reduced:

N7O32C61H109 (1)

Stoich.:

A7B32C61D109 (1)

Weight, g/mol:

250.095357

ΔHf, kcal/mol:

-1480.34

Dipole, Da:

7.5

IP(EA), eV:

 -9.22(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(1S,2R,7S)-2-(hydroxymethyl)-7-methyl-3,6-dioxatricyclo[3.2.0.02,7]heptan-4-yl]-4-methylpyrimidin-2-one

Drug info:

PubChemData

Smile

CC(=O)[C@H](CCCCNC(=O)COCCOCCOCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(=O)C)NC(=O)C(CCCCNC(=O)COCCOCCOCCO[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)NC(=O)C)NC(=O)COCCOCCOCCO[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)NC(=O)C

DOS

IR

Vibrations