Geometry & MOs

Info

ID:	163147
PubChem CID:	57646605
Reduced:	SN2O5H14C16 (1)
Stoich.:	AB2C5D14E16 (1)
Weight, g/mol:	367.141973
ΔH_f, kcal/mol:	-131.94
Dipole, Da:	7.16
IP(EA), eV:	-9.88(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-6-[(4-methoxyphenyl)methyl]-2-oxo-1-propan-2-ylquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CN1C(=C(C2=C(S1(=O)=O)C=CC(=N2)CC3=CC=CC=C3)O)C(=O)O

DOS

IR

Vibrations