Geometry & MOs

Info

ID:	427510
PubChem CID:	135159474
Reduced:	N2O2H38C47 (1)
Stoich.:	A2B2C38D47 (1)
Weight, g/mol:	217.001992
ΔH_f, kcal/mol:	107.29
Dipole, Da:	4.17
IP(EA), eV:	-7.87(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1]benzothiolo[2,3-c]pyridine-6-thiol

Drug info:

PubChemData

Smile

C1CC2=C(C=C1)N(C3C2CCC(=C3)C4=CC5=C(C=C4)OC6=CC=CC=C6C57C8=C(CC(C=C8)C9=CC=CN9)OC1=CC=CC=C71)C1=CC=CC=C1

DOS

IR

Vibrations