Geometry & MOs

Info

ID:	318898
PubChem CID:	126653650
Reduced:	SF3O3N4C20H21 (1)
Stoich.:	AB3C3D4E20F21 (1)
Weight, g/mol:	313.140197
ΔH_f, kcal/mol:	-188.72
Dipole, Da:	7.11
IP(EA), eV:	-8.68(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hexyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(F)(F)F)NS(=O)(=O)C1=CN=C(C=C1)C2=CC3=CC(=CN=C3N2C4CCC4)OC

DOS

IR

Vibrations