Geometry & MOs

Info

ID:

231482

PubChem CID:

87573860

Reduced:

NO3C35H69 (1)

Stoich.:

AB3C35D69 (1)

Weight, g/mol:

418.319543

ΔHf, kcal/mol:

-273.96

Dipole, Da:

2.92

IP(EA), eV:

 -9.42(0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC(=O)C(C(C(=O)CCCCCCCCCCCCC)N)C(C)(C)CCO

DOS

IR

Vibrations