Geometry & MOs

Info

ID:	383217
PubChem CID:	134974814
Reduced:	O2C12H13 (2)
Stoich.:	A2B12C13 (2)
Weight, g/mol:	632.125345
ΔH_f, kcal/mol:	-118.99
Dipole, Da:	4.95
IP(EA), eV:	-9.58(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C(=C\COC(=O)C1=CC=CC=C1)/CCC=C(C)COC(=O)C2=CC=CC=C2

DOS

IR

Vibrations