Geometry & MOs

Info

ID:	148801
PubChem CID:	53788470
Reduced:	SCl2N2O5C17H18 (1)
Stoich.:	AB2C2D5E17F18 (1)
Weight, g/mol:	360.095751
ΔH_f, kcal/mol:	-180.17
Dipole, Da:	11.84
IP(EA), eV:	-9.82(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-hydroxy-7-methoxy-4,11-dimethyl-1-oxo-4H-pyridazino[1,2-a]cinnoline-3,10-dicarboxylic acid

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)O)NC(=O)C1=CC=CN1S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl

DOS

IR

Vibrations