Geometry & MOs

Info

ID:	163136
PubChem CID:	57646544
Reduced:	SN2O5H6C8 (1)
Stoich.:	AB2C5D6E8 (1)
Weight, g/mol:	330.053966
ΔH_f, kcal/mol:	-148.01
Dipole, Da:	7.78
IP(EA), eV:	-9.4(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(4-fluorophenyl)-hydroxymethyl]-4-hydroxy-2-oxochromene-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C(NS2(=O)=O)C(=O)O)O)N=C1

DOS

IR

Vibrations