Geometry & MOs

Info

ID:	397329
PubChem CID:	135030058
Reduced:	NO2F3H16C18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	342.93363
ΔH_f, kcal/mol:	-183.77
Dipole, Da:	5.05
IP(EA), eV:	-9.63(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromoquinolin-6-yl)sulfanyl-2-methylsulfanylacetic acid

Drug info:

PubChemData

Smile

C1C(=O)O[C@H]([C@H](N1CC2=CC=CC=C2)C(F)(F)F)C3=CC=CC=C3

DOS

IR

Vibrations