Geometry & MOs

Info

ID:

222840

PubChem CID:

85332706

Reduced:

N3O9C28H33 (1)

Stoich.:

A3B9C28D33 (1)

Weight, g/mol:

555.1361

ΔHf, kcal/mol:

-358.84

Dipole, Da:

4.06

IP(EA), eV:

 -8.78(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 1,2-thiazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1CC(CC(=O)O1)OCC(=O)C(CC(=O)O)NC(=O)C(C(C)C)NC(=O)C(=O)NC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations