Geometry & MOs

Info

ID:	1609
PubChem CID:	4766
Reduced:	SO5H14C19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	354.056195
ΔH_f, kcal/mol:	-126.13
Dipole, Da:	6.78
IP(EA), eV:	-9.21(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-hydroxyphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]phenol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(OS2(=O)=O)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O

DOS

IR

Vibrations