Geometry & MOs

Info

ID:

219131

PubChem CID:

85090731

Reduced:

N6O9C26H40 (1)

Stoich.:

A6B9C26D40 (1)

Weight, g/mol:

582.26268

ΔHf, kcal/mol:

-413.45

Dipole, Da:

10.34

IP(EA), eV:

 -9.31(-0.5)

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] 2-(2,2,3,3-tetramethylcyclopropyl)acetate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)O)C(=O)NC(CC(=O)N)C(=O)NC(CO)C(=O)O)N

DOS

IR

Vibrations