Geometry & MOs

Info

ID:	141623
PubChem CID:	52903444
Reduced:	SO3N4H26C28 (1)
Stoich.:	AB3C4D26E28 (1)
Weight, g/mol:	259.095691
ΔH_f, kcal/mol:	37.5
Dipole, Da:	6.69
IP(EA), eV:	-8.34(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-oxo-3-pyridin-2-ylpyridazin-1-yl)butanoic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)O[C@H]([C@@H]3C2=NC4=NC(=NN4[C@@H]3C5=CC=C(C=C5)OC)SC)C6=CC(=CC=C6)OC

DOS

IR

Vibrations