Geometry & MOs

Info

ID:

409699

PubChem CID:

135082482

Reduced:

NOSLi2C9H9 (1)

Stoich.:

ABCD2E9F9 (1)

Weight, g/mol:

514.420608

ΔHf, kcal/mol:

113.37

Dipole, Da:

30.26

IP(EA), eV:

 -5.33(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3S)-2-[(3S,8S,10R,13S,17R)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-3-ol

Drug info:

PubChemData

Smile

[Li+].[Li+].CC1(COC(=N1)C2=[C-]C=[C-]S2)C

DOS

IR

Vibrations