Geometry & MOs

Info

ID:	36401
PubChem CID:	8005643
Reduced:	SN3O5C19H21 (1)
Stoich.:	AB3C5D19E21 (1)
Weight, g/mol:	267.059209
ΔH_f, kcal/mol:	-126.73
Dipole, Da:	7.88
IP(EA), eV:	-9.15(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-(3-cyano-2-sulfanylidene-1,5,6,7-tetrahydrocyclopenta[b]pyridin-4-yl)phenolate

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC=CC=N4)OC1

DOS

IR

Vibrations