Geometry & MOs

Info

ID:	209962
PubChem CID:	80743372
Reduced:	FSN2O4C13H15 (1)
Stoich.:	ABC2D4E13F15 (1)
Weight, g/mol:	302.108899
ΔH_f, kcal/mol:	-127.25
Dipole, Da:	10.6
IP(EA), eV:	-9.32(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-methylthiolan-2-yl)methylamino]quinoline-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CCCS1)CNC2=C(C=C(C(=C2)C(=O)O)[N+](=O)[O-])F

DOS

IR

Vibrations