Geometry & MOs

Info

ID:	225120
PubChem CID:	85741832
Reduced:	O3H4C8 (3)
Stoich.:	A3B4C8 (3)
Weight, g/mol:	282.035065
ΔH_f, kcal/mol:	-169.19
Dipole, Da:	4.34
IP(EA), eV:	-8.59(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-[1]benzothiolo[3,2-b]furan 4,4-dioxide

Drug info:

PubChemData

Smile

C1=C2C(=CC(=C1O)O)OC3=C4C5=CC(=C(C=C5OC4=C6C(=C23)C7=CC(=C(C=C7O6)O)O)O)O

DOS

IR

Vibrations