Geometry & MOs

Info

ID:

184401

PubChem CID:

77156023

Reduced:

ClNO3C25H28 (1)

Stoich.:

ABC3D25E28 (1)

Weight, g/mol:

519.215806

ΔHf, kcal/mol:

-115.37

Dipole, Da:

5.1

IP(EA), eV:

 -9.27(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-pyridin-3-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=CC(=N2)C(C)C)C(=C1C(C(=O)O)OC(C)(C)C)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations