Geometry & MOs

Info

ID:

336446

PubChem CID:

127255453

Reduced:

PtN3O5C6H17 (1)

Stoich.:

AB3C5D6E17 (1)

Weight, g/mol:

528.215946

ΔHf, kcal/mol:

-101.01

Dipole, Da:

10.69

IP(EA), eV:

 -8.79(-1.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(8S,10S,11S,13S,14S,16R,17R)-17-(2-acetyloxyacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate

Drug info:

PubChemData

Smile

C1CCC(C(C1)[NH-])[NH-].[N+](=O)(O)[O-].O.O.[Pt+2]

DOS

IR

Vibrations