Geometry & MOs

Info

ID:	320668
PubChem CID:	126662432
Reduced:	ClFO5H18C20 (1)
Stoich.:	ABC5D18E20 (1)
Weight, g/mol:	601.094899
ΔH_f, kcal/mol:	-217.55
Dipole, Da:	4.33
IP(EA), eV:	-8.66(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3R)-7-[(2-chloro-6-fluorophenyl)methoxy]-1-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinolin-3-yl]oxy]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

COC(=O)CCC1CC(=O)C2=C(O1)C=CC(=C2)OCC3=C(C=CC=C3Cl)F

DOS

IR

Vibrations