Geometry & MOs

Info

ID:

310584

PubChem CID:

126582878

Reduced:

OS2F3N5C17H20 (1)

Stoich.:

AB2C3D5E17F20 (1)

Weight, g/mol:

626.08108

ΔHf, kcal/mol:

-99.15

Dipole, Da:

5.01

IP(EA), eV:

 -9.29(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN/N=C(/CCCCNC(=O)C1=C(SC(=N1)C2=NC=CS2)C3CC3)\C(F)(F)F

DOS

IR

Vibrations