Geometry & MOs

Info

ID:

80398

PubChem CID:

49834293

Reduced:

F2N6O13C24H46 (1)

Stoich.:

A2B6C13D24E46 (1)

Weight, g/mol:

661.1449

ΔHf, kcal/mol:

-701.57

Dipole, Da:

3.67

IP(EA), eV:

 -9.87(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-[4-[(1,1-dimethylpiperidin-1-ium-4-yl)oxycarbonylamino]-3-phenylphenyl]propanoylamino]-2-fluorobenzoate;hydroiodide

Drug info:

PubChemData

Smile

C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)C(C(CN)(F)F)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CNCCO)O)O)N)N

DOS

IR

Vibrations