Geometry & MOs

Info

ID:	294403
PubChem CID:	117459298
Reduced:	FSN3O3C11H12 (1)
Stoich.:	ABC3D3E11F12 (1)
Weight, g/mol:	285.111341
ΔH_f, kcal/mol:	-107.92
Dipole, Da:	5.72
IP(EA), eV:	-8.88(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-acetyl-2,3-dihydroindol-6-yl)-1-methylpyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C2=CC(=C(C=C2O)S(=O)(=O)C)F)N

DOS

IR

Vibrations