Geometry & MOs

Info

ID:

43522

PubChem CID:

10321418

Reduced:

O12C19H28 (1)

Stoich.:

A12B19C28 (1)

Weight, g/mol:

448.138284

ΔHf, kcal/mol:

-550.25

Dipole, Da:

3.34

IP(EA), eV:

 -10.42(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-[(2-methoxypyridin-4-yl)methylcarbamoyl]-8-methyl-7-oxo-[1,3,4]oxadiazolo[3,2-a]pyridin-6-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

CC(=O)O[C@]1(CC[C@]2([C@@H]1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)C

DOS

IR

Vibrations