Geometry & MOs

Info

ID:	225862
PubChem CID:	87235782
Reduced:	OC3H5 (6)
Stoich.:	AB3C5 (6)
Weight, g/mol:	485.136905
ΔH_f, kcal/mol:	-246.35
Dipole, Da:	5.79
IP(EA), eV:	-10.32(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3E)-3-[7-(butylamino)-2,4-dioxo-1H-quinolin-3-ylidene]-4,5-dihydroxy-1,2,4-benzothiadiazin-7-yl]oxy]acetamide

Drug info:

PubChemData

Smile

C1C(O1)CC(CCCCCCCCC(=O)O)C(CC2CO2)C(=O)O

DOS

IR

Vibrations