Geometry & MOs

Info

ID:

223783

PubChem CID:

85335563

Reduced:

FO4N7C28H36 (1)

Stoich.:

AB4C7D28E36 (1)

Weight, g/mol:

550.242533

ΔHf, kcal/mol:

-129.59

Dipole, Da:

7.04

IP(EA), eV:

 -8.72(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid;1H-imidazol-1-ium

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=NC=N2)NC3CC(NN3)CC(=O)NC4=CC(=CC=C4)F)OCCCN5CCCC(C5)O

DOS

IR

Vibrations