Geometry & MOs

Info

ID:	442060
PubChem CID:	135248892
Reduced:	ClSF3N3O3H17C23 (1)
Stoich.:	ABC3D3E3F17G23 (1)
Weight, g/mol:	485.097619
ΔH_f, kcal/mol:	-169.17
Dipole, Da:	6.17
IP(EA), eV:	-9.42(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2-fluorophenyl]butane-1-sulfonamide

Drug info:

PubChemData

Smile

CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)C4=C(C=C(C=C4)F)Cl)F

DOS

IR

Vibrations