Geometry & MOs

Info

ID:	84584
PubChem CID:	49868137
Reduced:	HgNO6C12H16 (1)
Stoich.:	ABC6D12E16 (1)
Weight, g/mol:	501.021395
ΔH_f, kcal/mol:	-218.72
Dipole, Da:	5.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761371
Charge, e:	0

Chem-info

IUPAC name:

disodium;(4,4-dicarboxylato-2-hydroxy-4-phenylbutyl)mercury;hydrate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)N(CC(C[Hg])O)C(=O)O.O

DOS

IR

Vibrations