Geometry & MOs

Info

ID:	85344
PubChem CID:	49874118
Reduced:	O11C25H34 (1)
Stoich.:	A11B25C34 (1)
Weight, g/mol:	770.101344
ΔH_f, kcal/mol:	-487.51
Dipole, Da:	6.33
IP(EA), eV:	-10.27(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzoic acid;(6-mercurio-9-oxabicyclo[3.3.1]nonan-2-yl)mercury

Drug info:

PubChemData

Smile

CC12[C@@H](CC[C@]3([C@H]1[C@H]([C@@]45[C@@H]3CC[C@@](C4)(C(=C)C5)O)C(=O)O)OC2=O)O[C@H]6[C@H]([C@@H]([C@H]([C@@H](O6)CO)O)O)O

DOS

IR

Vibrations