Geometry & MOs

Info

ID:	59031
PubChem CID:	24770396
Reduced:	BrO4H7C8 (1)
Stoich.:	AB4C7D8 (1)
Weight, g/mol:	515.9659
ΔH_f, kcal/mol:	-139.58
Dipole, Da:	5.93
IP(EA), eV:	-10.59(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4-chlorophenyl)-(4-methoxyphenyl)-lambda3-iodanyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C1[C@@H]2[C@H](OC(=O)[C@@H]2OC1=O)/C=C/Br

DOS

IR

Vibrations