Geometry & MOs

Info

ID:	158135
PubChem CID:	56463040
Reduced:	FON2H9C11 (2)
Stoich.:	ABC2D9E11 (2)
Weight, g/mol:	409.073242
ΔH_f, kcal/mol:	-77.35
Dipole, Da:	5.63
IP(EA), eV:	-8.7(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenoxy-3-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonylamino)benzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OC2=NC=C(C=C2)NC(=O)C3=CC4=C(C=C3)N=C(N4)C(F)F)C

DOS

IR

Vibrations