Geometry & MOs

Info

ID:

226201

PubChem CID:

87350021

Reduced:

SO3N4H24C27 (1)

Stoich.:

AB3C4D24E27 (1)

Weight, g/mol:

468.178202

ΔHf, kcal/mol:

-16.63

Dipole, Da:

5.45

IP(EA), eV:

 -9.12(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(C(=O)O)N1CC2=C(C1=O)C=CC(=C2)C3=CC=C(C=C3)NC(=S)NC4=CC=C(C=C4)C#N

DOS

IR

Vibrations