Geometry & MOs

Info

ID:	339032
PubChem CID:	127260043
Reduced:	ClSO3H6C8 (2)
Stoich.:	ABC3D6E8 (2)
Weight, g/mol:	432.103145
ΔH_f, kcal/mol:	-175.11
Dipole, Da:	7.93
IP(EA), eV:	-10.16(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[bis(4-hydroxyphenyl)methyl]phenyl] benzenesulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(C#CCC2=CC(=CC=C2)S(=O)(=O)O)(Cl)Cl)S(=O)(=O)O

DOS

IR

Vibrations