Geometry & MOs

Info

ID:	14639
PubChem CID:	416605
Reduced:	HgO12C17H25 (1)
Stoich.:	AB12C17D25 (1)
Weight, g/mol:	623.105245
ΔH_f, kcal/mol:	-515.47
Dipole, Da:	8.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756977
Charge, e:	0

Chem-info

IUPAC name:

acetic acid;[3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-methoxyoxan-3-yl]mercury

Drug info:

PubChemData

Smile

CC(=O)O.CC(=O)OCC1C(C(C(C(O1)OC)(OC(=O)C)[Hg])OC(=O)C)OC(=O)C

DOS

IR

Vibrations