Geometry & MOs

Info

ID:

231085

PubChem CID:

87572598

Reduced:

NO2C19H24 (2)

Stoich.:

AB2C19D24 (2)

Weight, g/mol:

596.361408

ΔHf, kcal/mol:

-133.58

Dipole, Da:

4.53

IP(EA), eV:

 -8.72(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9H-fluoren-9-ylmethyl N-[2-[(Z)-[(8R,9S,10R,13S,14S)-4,4,10,13-tetramethyl-17-oxo-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxyethyl]carbamate

Drug info:

PubChemData

Smile

C[C@]12CC/C(=N\OCCNC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)/C(C1CC[C@@H]6[C@@H]2CC[C@]7([C@H]6CCC7=O)C)(C)C

DOS

IR

Vibrations