Geometry & MOs

Info

ID:	12896
PubChem CID:	147908
Reduced:	SO2H12C16 (1)
Stoich.:	AB2C12D16 (1)
Weight, g/mol:	268.055801
ΔH_f, kcal/mol:	-28.81
Dipole, Da:	3.61
IP(EA), eV:	-8.68(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-3,4-dihydronaphtho[1,2-b][1]benzothiole-3,4-diol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(S2)C4=C(C=C3)[C@H]([C@@H](C=C4)O)O

DOS

IR

Vibrations