Geometry & MOs

Info

ID:	320657
PubChem CID:	126662418
Reduced:	ClSN2O2F4H23C26 (1)
Stoich.:	ABC2D2E4F23G26 (1)
Weight, g/mol:	437.130837
ΔH_f, kcal/mol:	-227.89
Dipole, Da:	6.41
IP(EA), eV:	-8.76(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(4-fluoro-3-methoxyphenyl)sulfonyl-7-hydroxy-3,4-dihydro-2H-quinolin-3-yl]-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H](CC2=C(N1S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)C=C(C=C2)/C=C(\C)/C4=C(C=CC=C4Cl)F)N

DOS

IR

Vibrations