Geometry & MOs

Info

ID:	234637
PubChem CID:	92303212
Reduced:	SN2O2C14H16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	247.084458
ΔH_f, kcal/mol:	-50.81
Dipole, Da:	3.39
IP(EA), eV:	-9.15(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(S[C@H]1C2=CC=CC=C2)N)C

DOS

IR

Vibrations