Geometry & MOs

Info

ID:

169072

PubChem CID:

75060104

Reduced:

FN3O14C32H42 (1)

Stoich.:

AB3C14D32E42 (1)

Weight, g/mol:

725.280731

ΔHf, kcal/mol:

-472.07

Dipole, Da:

12.07

IP(EA), eV:

 -9.79(-1.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[9-fluoro-11-hydroxy-10,13,16-trimethyl-17-[2-[3-(4-nitrooxybutanoylamino)propanoyloxy]acetyl]-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 4-nitrooxybutanoate

Drug info:

PubChemData

Smile

CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)CNC(=O)CCCO[N+](=O)[O-])OC(=O)CCCO[N+](=O)[O-])C)O)F)C

DOS

IR

Vibrations