Geometry & MOs

Info

ID:

80440

PubChem CID:

49834464

Reduced:

N5O13C25H47 (1)

Stoich.:

A5B13C25D47 (1)

Weight, g/mol:

665.15621

ΔHf, kcal/mol:

-583.6

Dipole, Da:

5.58

IP(EA), eV:

 -9.64(0.52)

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]-2,5-difluorophenyl]methanolate;hydroiodide

Drug info:

PubChemData

Smile

CCNC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)NC(=O)C4(CC(C4)N)O)N)O)O)O

DOS

IR

Vibrations