Geometry & MOs

Info

ID:

231084

PubChem CID:

87572597

Reduced:

ON2C13H15 (2)

Stoich.:

AB2C13D15 (2)

Weight, g/mol:

596.361408

ΔHf, kcal/mol:

-3.52

Dipole, Da:

5.14

IP(EA), eV:

 -8.69(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9H-fluoren-9-ylmethyl N-[2-[(E)-[(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

C1CCC(CC1)OC2=NC=CC3=NNC(=C32)/C=C/C(=O)N4CCCC(C4)C5=CC=CC=C5

DOS

IR

Vibrations