Geometry & MOs

Info

ID:	141279
PubChem CID:	52852396
Reduced:	FO3N4C26H29 (1)
Stoich.:	AB3C4D26E29 (1)
Weight, g/mol:	393.104622
ΔH_f, kcal/mol:	-82.32
Dipole, Da:	5.26
IP(EA), eV:	-8.75(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluorophenoxy]butanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)C2=NC3=C(C=NN3C(C)C)C(=C2)C(=O)N(C4=CC(=C(C=C4)OC)F)C(C)C

DOS

IR

Vibrations