Geometry & MOs

Info

ID:

820

PubChem CID:

3399

Reduced:

SF3O5C25H31 (1)

Stoich.:

AB3C5D25E31 (1)

Weight, g/mol:

500.18443

ΔHf, kcal/mol:

-361.42

Dipole, Da:

10.51

IP(EA), eV:

 -9.82(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate

Drug info:

PubChemData

Smile

CCC(=O)OC1(C(CC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C)C(=O)SCF

DOS

IR

Vibrations