Geometry & MOs

Info

ID:

230441

PubChem CID:

87570910

Reduced:

FO3N7H18C24 (1)

Stoich.:

AB3C7D18E24 (1)

Weight, g/mol:

626.189829

ΔHf, kcal/mol:

58.2

Dipole, Da:

4.48

IP(EA), eV:

 -9.68(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(10S,11S,13S,17R)-9-fluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 4-[(6-oxo-1H-pyridazin-3-yl)oxy]benzoate

Drug info:

PubChemData

Smile

CNC(C1=CC=CC(=C1)C2=NOC(=N2)C3=C(N(N=N3)C4=CC=CC=C4F)C5=CC=NC=C5)OC=O

DOS

IR

Vibrations