Geometry & MOs

Info

ID:

145282

PubChem CID:

53492303

Reduced:

FeLiN2P2O14C24H34 (1)

Stoich.:

ABC2D2E14F24G34 (1)

Weight, g/mol:

392.108482

ΔHf, kcal/mol:

-745.01

Dipole, Da:

3.97

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.766982

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-3'-fluoro-2'-(2-fluoropyridin-3-yl)-3-methylspiro[imidazole-5,9'-xanthene]-4-one

Drug info:

PubChemData

Smile

[Li+].C1=CC(=C(C(=C1CO)CO)CN(CP(=O)([O-])[O-])C(CO)C(CO)N(CC2=C(C=C(C=C2O)CO)CO)CP(=O)([O-])[O-])O.[Fe+3]

DOS

IR

Vibrations