Geometry & MOs

Info

ID:

80509

PubChem CID:

49834841

Reduced:

F2N5O13C24H45 (1)

Stoich.:

A2B5C13D24E45 (1)

Weight, g/mol:

673.20127

ΔHf, kcal/mol:

-667.19

Dipole, Da:

5.71

IP(EA), eV:

 -9.38(0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)CC(CN)(F)F)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)O)N

DOS

IR

Vibrations