Geometry & MOs

Info

ID:

230138

PubChem CID:

87570286

Reduced:

FS2O3N5H16C18 (1)

Stoich.:

AB2C3D5E16F18 (1)

Weight, g/mol:

702.241116

ΔHf, kcal/mol:

-73.85

Dipole, Da:

3.54

IP(EA), eV:

 -9.25(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(10S,11S,13S,17R)-17-(cyanomethylsulfanylcarbonyl)-9-fluoro-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 4-[3-(dimethylcarbamoyl)-4-hydroxyphenoxy]benzoate

Drug info:

PubChemData

Smile

C1[C@@H](OC(=O)N1C2=CC(=C(C=C2)C3=NC(=CS3)CN4C=CN=C4)F)CNC(=O)S

DOS

IR

Vibrations