Geometry & MOs

Info

ID:	177670
PubChem CID:	76211289
Reduced:	BrNSO4H16C21 (1)
Stoich.:	ABCD4E16F21 (1)
Weight, g/mol:	249.998776
ΔH_f, kcal/mol:	-91.45
Dipole, Da:	7.97
IP(EA), eV:	-8.25(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-carboxy-3-(3-carboxy-3-oxoprop-1-enylidene)-6-oxopyridin-4-olate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)O1)C2=CC(SC3=CC=CC=C3N2)C4=C(C=CC(=C4)Br)O)O

DOS

IR

Vibrations