Geometry & MOs

Info

ID:	53041
PubChem CID:	14709453
Reduced:	SO2H8C16 (1)
Stoich.:	AB2C8D16 (1)
Weight, g/mol:	268.055801
ΔH_f, kcal/mol:	68.18
Dipole, Da:	5.54
IP(EA), eV:	-8.83(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-1,2-dihydronaphtho[1,2-b][1]benzothiole-1,2-diol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(S2)C4=C(C=C3)C=CC(=O)C4=O

DOS

IR

Vibrations