Geometry & MOs

Info

ID:	383218
PubChem CID:	134974815
Reduced:	ClHgO5C24H27 (1)
Stoich.:	ABC5D24E27 (1)
Weight, g/mol:	616.130431
ΔH_f, kcal/mol:	-160.99
Dipole, Da:	5.02
IP(EA), eV:	-9.71(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R)-2,3-bis(benzoyloxymethyl)-2,4-dimethylcyclohexyl]-chloromercury

Drug info:

PubChemData

Smile

C[C@@]1(CC[C@H]([C@@]([C@H]1COC(=O)C2=CC=CC=C2)(C)COC(=O)C3=CC=CC=C3)[Hg]Cl)O

DOS

IR

Vibrations