Geometry & MOs

Info

ID:

15774

PubChem CID:

450303

Reduced:

TcN2S2O4C17H22 (1)

Stoich.:

AB2C2D4E17F22 (1)

Weight, g/mol:

481.008349

ΔHf, kcal/mol:

-7.78

Dipole, Da:

10.71

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.913547

Charge, e:

 0

Chem-info

IUPAC name:

2-hydroxy-6-methyl-3-[C-methyl-N-[2-[[2-[methylsulfanyl(sulfanyl)methylidene]cyclopentylidene]amino]ethyl]carbonimidoyl]pyran-4-one;oxo(99Tc)technetium-99

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C(O1)O)C(=NCCN=C2CCCC2=C(S)SC)C.O=[99Tc]

DOS

IR

Vibrations