Geometry & MOs

Info

ID:

308476

PubChem CID:

125333194

Reduced:

SN2O3C13H20 (1)

Stoich.:

AB2C3D13E20 (1)

Weight, g/mol:

480.146273

ΔHf, kcal/mol:

-131.16

Dipole, Da:

5.87

IP(EA), eV:

 -9.2(-1.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8R,9R,10R,11S,13S,14R,17S)-17-(2-ethylsulfanylcarbothioylsulfanylacetyl)-11,17-dihydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CCCCCOC(=O)CC[C@@H]1C(=NC(=S)NC1=O)C

DOS

IR

Vibrations