Geometry & MOs

Info

ID:

231425

PubChem CID:

87573674

Reduced:

BrNSeH6C11 (1)

Stoich.:

ABCD6E11 (1)

Weight, g/mol:

976.650045

ΔHf, kcal/mol:

85.62

Dipole, Da:

3.14

IP(EA), eV:

-9.41(-1.1)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

bis[(3E,8R,9R,10R,13S,14S)-7-hydroxy-6-(hydroxymethyl)-4,4,10,13-tetramethyl-3-[(3R)-pyrrolidin-3-yl]oxyimino-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] (E)-but-2-enedioate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#N)C2=CC=C([Se]2)Br

DOS

IR

Vibrations