Geometry & MOs

Info

ID:

308337

PubChem CID:

125326232

Reduced:

ClN2O8C27H33 (1)

Stoich.:

AB2C8D27E33 (1)

Weight, g/mol:

392.163517

ΔHf, kcal/mol:

-305.61

Dipole, Da:

3.97

IP(EA), eV:

 -8.9(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8R,9S,10S,13S,14R,16R,17R)-9-fluoro-16,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthrene-3,11-dione

Drug info:

PubChemData

Smile

C1CN(CCN1CCOCCOC(=O)C[C@@](CC(=O)O)(C(=O)O)O)[C@@H](C2=CC=CC=C2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations