Geometry & MOs

Info

ID:	23497
PubChem CID:	604150
Reduced:	SN2O2H6C11 (1)
Stoich.:	AB2C2D6E11 (1)
Weight, g/mol:	230.014999
ΔH_f, kcal/mol:	2.46
Dipole, Da:	5.98
IP(EA), eV:	-9.29(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1]benzothiolo[2,3-d]pyridazine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CN=NC(=C3S2)C(=O)O

DOS

IR

Vibrations