Geometry & MOs

Info

ID:	17085
PubChem CID:	483437
Reduced:	SF2N3H9C13 (1)
Stoich.:	AB2C3D9E13 (1)
Weight, g/mol:	277.048525
ΔH_f, kcal/mol:	-4.35
Dipole, Da:	2.3
IP(EA), eV:	-8.87(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,6-difluorophenyl)methyl]imidazo[4,5-b]pyridine-2-thiol

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)CN2C3=C(C=CC=N3)N=C2S)F

DOS

IR

Vibrations