Geometry & MOs

Info

ID:

231105

PubChem CID:

87572648

Reduced:

NOH13C19 (1)

Stoich.:

ABC13D19 (1)

Weight, g/mol:

450.264921

ΔHf, kcal/mol:

31.99

Dipole, Da:

3.79

IP(EA), eV:

 -8.85(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E,8R,9R,10R,13S,14S)-4-ethyl-10,13-dimethyl-3-[(3R)-pyrrolidin-3-yl]oxyimino-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione;hydrochloride

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C4=CC=CC=C24)C(=CC=C3)C(=O)N

DOS

IR

Vibrations