Geometry & MOs

Info

ID:	427507
PubChem CID:	135159463
Reduced:	NS2H7C11 (1)
Stoich.:	AB2C7D11 (1)
Weight, g/mol:	201.024835
ΔH_f, kcal/mol:	86.26
Dipole, Da:	11.53
IP(EA), eV:	-7.7(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1]benzofuro[3,2-b]pyridine-6-thiol

Drug info:

PubChemData

Smile

C1=CNC2=C3C=CC(=S)C=C3SC2=C1

DOS

IR

Vibrations