Geometry & MOs

Info

ID:

415882

PubChem CID:

135088884

Reduced:

N5O6C33H51 (1)

Stoich.:

A5B6C33D51 (1)

Weight, g/mol:

447.216949

ΔHf, kcal/mol:

-276.88

Dipole, Da:

8.13

IP(EA), eV:

 -8.93(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-fluoro-3-[(3R,4S)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-7-morpholin-4-yl-1H-quinolin-4-one

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NCCCN(CCCC(=O)N[C@@H](C(=O)N[C@H](C(=O)N1C)CC2=CC=C(C=C2)OC)CC(C)C)C(=O)C3CCCC3

DOS

IR

Vibrations