Geometry & MOs

Info

ID:

159598

PubChem CID:

57288514

Reduced:

N2O7C12H18 (1)

Stoich.:

A2B7C12D18 (1)

Weight, g/mol:

513.398208

ΔHf, kcal/mol:

-318.34

Dipole, Da:

5.47

IP(EA), eV:

 -9.79(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8S,9S,13S,14S)-11-fluoro-3-hydroxy-13-methyl-7-[5-[methyl(nonyl)amino]pentyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

Drug info:

PubChemData

Smile

CC(C)(C1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O)O

DOS

IR

Vibrations