Geometry & MOs

Info

ID:	293139
PubChem CID:	117374863
Reduced:	ClFSO3H6C9 (1)
Stoich.:	ABCD3E6F9 (1)
Weight, g/mol:	248.046489
ΔH_f, kcal/mol:	-126.75
Dipole, Da:	5.5
IP(EA), eV:	-9.8(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-amino-1H-pyrazol-4-yl)-7-chloro-1,3-dihydroindol-2-one

Drug info:

PubChemData

Smile

C1=CC2=C(C=CO2)C(=C1CS(=O)(=O)Cl)F

DOS

IR

Vibrations