Geometry & MOs

Info

ID:

231315

PubChem CID:

87573461

Reduced:

N3O5C19H25 (1)

Stoich.:

A3B5C19D25 (1)

Weight, g/mol:

421.27407

ΔHf, kcal/mol:

-150.36

Dipole, Da:

4.12

IP(EA), eV:

-8.46(-0.2)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2R,3Z,6E,8R,9S,10R,13S,14S,17S)-2-fluoro-6-hydroxyimino-10,13-dimethyl-3-[(3R)-pyrrolidin-3-yl]oxyimino-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol

Drug info:

PubChemData

Smile

CCOCCCN1C=CC(=O)C(=C1C)O.CC1=C(C(=O)C=CN1CC#N)O

DOS

IR

Vibrations