Geometry & MOs

Info

ID:	246766
PubChem CID:	103064839
Reduced:	FNSO2C11H12 (1)
Stoich.:	ABCD2E11F12 (1)
Weight, g/mol:	253.088498
ΔH_f, kcal/mol:	-111.44
Dipole, Da:	6.46
IP(EA), eV:	-9.04(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-3-(thiolan-3-ylamino)pyridazine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CSCC1NC2=C(C=C(C=C2)C(=O)O)F

DOS

IR

Vibrations