Geometry & MOs

Info

ID:	250676
PubChem CID:	103098261
Reduced:	ClSO2C3N4H5 (1)
Stoich.:	ABC2D3E4F5 (1)
Weight, g/mol:	289.086269
ΔH_f, kcal/mol:	-4.54
Dipole, Da:	2.85
IP(EA), eV:	-11.99(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(10-fluoro-2-methyl-4-oxo-6H-pyrimido[1,2-b]indazol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

C1=NN=NN1CCS(=O)(=O)Cl

DOS

IR

Vibrations