Geometry & MOs

Info

ID:

169075

PubChem CID:

75060107

Reduced:

FN2O14C31H41 (1)

Stoich.:

AB2C14D31E41 (1)

Weight, g/mol:

814.256326

ΔHf, kcal/mol:

-472.11

Dipole, Da:

7.9

IP(EA), eV:

 -9.82(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-[9-chloro-11-hydroxy-10,13,16-trimethyl-17-(4-nitrooxybutanoyloxy)-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-2-(6-nitrooxyhexanoyloxy)-4-oxobutanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations