Geometry & MOs

Info

ID:	299177
PubChem CID:	117673995
Reduced:	SO4N5C19H23 (1)
Stoich.:	AB4C5D19E23 (1)
Weight, g/mol:	588.294785
ΔH_f, kcal/mol:	-92.8
Dipole, Da:	3.11
IP(EA), eV:	-8.56(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[9-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]nonoxy]phenyl]-(pyridin-2-ylmethyl)carbamic acid

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC=NC=C2)COC3=CC=CC4=C3C(=NS(N4)(O)O)N

DOS

IR

Vibrations