Geometry & MOs

Info

ID:

408716

PubChem CID:

135081484

Reduced:

PtO2P2C25H33 (1)

Stoich.:

AB2C2D25E33 (1)

Weight, g/mol:

496.173332

ΔHf, kcal/mol:

-9.52

Dipole, Da:

5.74

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.108667

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3S,4R,5S)-5-acetyloxy-2-[(9R)-4,5-dihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl]-3-hydroxyoxan-4-yl] 3-methylbut-2-enoate

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](P1C2=CC=CC=C2P3[C@@H](CC[C@@H]3C)C)C.C1=CC=C(C(=C1)[C-]=O)O.[Pt]

DOS

IR

Vibrations