Geometry & MOs

Info

ID:

49517

PubChem CID:

11533157

Reduced:

N4O11C18H36 (1)

Stoich.:

A4B11C18D36 (1)

Weight, g/mol:

484.239831

ΔHf, kcal/mol:

-495.77

Dipole, Da:

2.82

IP(EA), eV:

 -9.7(0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3R,6S)-6-(2,3-difluorophenyl)-1-methylazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations