Geometry & MOs

Info

ID:	18531
PubChem CID:	542343
Reduced:	HgNO5F6C14H14 (1)
Stoich.:	ABC5D6E14F14 (1)
Weight, g/mol:	592.04826
ΔH_f, kcal/mol:	-458.4
Dipole, Da:	6.92
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.957746
Charge, e:	0

Chem-info

IUPAC name:

[4,5-dimethoxy-2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]phenyl]mercury;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)CCNC(=O)C(F)(F)F)[Hg])OC.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations