Geometry & MOs

Info

ID:

49835

PubChem CID:

11533935

Reduced:

FSN2O6H27C28 (1)

Stoich.:

ABC2D6E27F28 (1)

Weight, g/mol:

538.27421

ΔHf, kcal/mol:

-194.15

Dipole, Da:

3.37

IP(EA), eV:

 -8.81(-1.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6S,8S,9R,10S,11S,13S,14S,16R,17R)-17-(2,4-dimethylpentan-3-yloxycarbonyloxy)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylic acid

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3=O)CC4=CC=C(C=C4)OCCF)COC5=CC=CC=C5

DOS

IR

Vibrations