Geometry & MOs

Info

ID:	163145
PubChem CID:	57646598
Reduced:	ClN2S2O6H15C26 (1)
Stoich.:	AB2C2D6E15F26 (1)
Weight, g/mol:	299.059386
ΔH_f, kcal/mol:	-91.28
Dipole, Da:	10.35
IP(EA), eV:	-9.58(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(4-fluorophenyl)methyl]-4-oxopyrano[2,3-c]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)C2=CN=C(S2)N3C(C4=C(C3=O)OC5=C(C4=O)C=CC(=C5)O)C6=CC(=CC=C6)Cl

DOS

IR

Vibrations