Geometry & MOs

Info

ID:

402515

PubChem CID:

135056252

Reduced:

N3O3C13H19 (1)

Stoich.:

A3B3C13D19 (1)

Weight, g/mol:

376.204988

ΔHf, kcal/mol:

-11.39

Dipole, Da:

5.48

IP(EA), eV:

 -8.59(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6S,8S,9S,10R,11S,13S,14S,16R)-6-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CN(C)C(=CC1=C(C=CC(=C1)OC)[N+](=O)[O-])N(C)C

DOS

IR

Vibrations