Geometry & MOs

Info

ID:

169074

PubChem CID:

75060106

Reduced:

FNO10C27H36 (1)

Stoich.:

ABC10D27E36 (1)

Weight, g/mol:

684.254182

ΔHf, kcal/mol:

-331.24

Dipole, Da:

4.2

IP(EA), eV:

 -8.9(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[9-fluoro-11,16-dihydroxy-10,13-dimethyl-17-[2-(4-nitrooxybutanoyloxy)acetyl]-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 6-nitrooxyhexanoate

Drug info:

PubChemData

Smile

CC12CC(C3(C(C1CC(C2(C(=O)CO)OC(=O)CCCCCO[N+](=O)[O-])O)CCC4=CC(=O)C=CC43C)F)O

DOS

IR

Vibrations