Geometry & MOs

Info

ID:

26000

PubChem CID:

635474

Reduced:

N2O4C33H52 (1)

Stoich.:

A2B4C33D52 (1)

Weight, g/mol:

486.407296

ΔHf, kcal/mol:

-208.87

Dipole, Da:

3.57

IP(EA), eV:

 -8.76(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4,4,10,14-tetramethyl-17-(6-methylheptan-2-yl)-11-oxo-1,2,3,5,6,7,8,9,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-13-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CC5=C(NN=C(C5C4)C(=O)OC)C(=O)OC)C)C

DOS

IR

Vibrations