Geometry & MOs

Info

ID:	318900
PubChem CID:	126653671
Reduced:	ClSO2F3N4C20H20 (1)
Stoich.:	ABC2D3E4F20G20 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	-170.88
Dipole, Da:	5.27
IP(EA), eV:	-9.24(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C(F)(F)F)NS(=O)(=O)C1=CN=C(C=C1)C2=CC3=CC(=CN=C3N2C4CCC4)Cl

DOS

IR

Vibrations