Geometry & MOs

Info

ID:

46916

PubChem CID:

10528360

Reduced:

N2O2C13H19 (2)

Stoich.:

A2B2C13D19 (2)

Weight, g/mol:

470.33961

ΔHf, kcal/mol:

-186.09

Dipole, Da:

7.74

IP(EA), eV:

 -9.01(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,5R,8R,9R,10S,11R,13R,14R,17S)-3,11-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2Z)-6-methyl-4-oxohepta-2,5-dien-2-yl]-1,3,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-2-one

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N=C(C1=CC2=C(C=C1)C=C(N2)C(=O)NCCCCCCC(=O)OC(C)(C)C)N

DOS

IR

Vibrations