Geometry & MOs

Info

ID:	435533
PubChem CID:	135191737
Reduced:	NO2H41C49 (1)
Stoich.:	AB2C41D49 (1)
Weight, g/mol:	345.058341
ΔH_f, kcal/mol:	113.62
Dipole, Da:	3.47
IP(EA), eV:	-8.27(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethynyl-2-fluorophenyl)-6-methoxy-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

Drug info:

PubChemData

Smile

CC12CNCC3=C(C1=C4C=CC=CC4=CC2C(C5=CC=CC=C5)(C6=CC=CC=C6)O)C7=CC=CC=C7C=C3C(C8=CC=CC=C8)(C9=CC=CC=C9)O

DOS

IR

Vibrations