Geometry & MOs

Info

ID:	399184
PubChem CID:	135038546
Reduced:	PdN2C15H16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	304.09806
ΔH_f, kcal/mol:	155.64
Dipole, Da:	4.79
IP(EA), eV:	-7.25(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5R)-2,3,5-trihydroxyhexyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)[C-](C#N)C#N.[CH2-]C=C.[Pd+2]

DOS

IR

Vibrations