Geometry & MOs

Info

ID:

184359

PubChem CID:

77151095

Reduced:

N3O6C32H45 (1)

Stoich.:

A3B6C32D45 (1)

Weight, g/mol:

843.383026

ΔHf, kcal/mol:

-264.44

Dipole, Da:

2.3

IP(EA), eV:

 -9.39(0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1,1-dimethylpiperidin-1-ium-4-yl) N-[5-[3-[3-fluoro-4-[[[2-hydroxy-2-(8-hydroxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-5-yl)ethyl]amino]methyl]anilino]-3-oxopropyl]-2-phenylphenyl]carbamate;2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CCCCOCC(=O)NC(CCC1=CC=CC=C1)C(=O)NC(CC(C)C)C(=O)NC(CC2=CC=CC=C2)C(=O)OC

DOS

IR

Vibrations