Geometry & MOs

Info

ID:	12074
PubChem CID:	129704
Reduced:	SN2O3H10C13 (1)
Stoich.:	AB2C3D10E13 (1)
Weight, g/mol:	274.041213
ΔH_f, kcal/mol:	-56.06
Dipole, Da:	6.35
IP(EA), eV:	-9.29(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-2-(6-hydroxyquinolin-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1[C@@H](N=C(S1)C2=NC3=C(C=C2)C=C(C=C3)O)C(=O)O

DOS

IR

Vibrations