Geometry & MOs

Info

ID:	184400
PubChem CID:	77156022
Reduced:	ClN2O5C39H47 (1)
Stoich.:	AB2C5D39E47 (1)
Weight, g/mol:	425.175771
ΔH_f, kcal/mol:	-211.33
Dipole, Da:	7.9
IP(EA), eV:	-8.71(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(4-chlorophenyl)-7-methyl-2-propan-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CC1CC2C(CC(C(=O)N2)CCNC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(C1C(CO)OC(C)(C)C)C6=CC=C(C=C6)Cl

DOS

IR

Vibrations