Geometry & MOs

Info

ID:	437080
PubChem CID:	135214589
Reduced:	BrO4C8H11 (1)
Stoich.:	AB4C8D11 (1)
Weight, g/mol:	348.13953
ΔH_f, kcal/mol:	-161.66
Dipole, Da:	6.76
IP(EA), eV:	-10.2(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 2-methoxypropane-2-sulfinate

Drug info:

PubChemData

Smile

CC/C(=C(\C=C(/CO)\O)/Br)/C(=O)O

DOS

IR

Vibrations