Geometry & MOs

Info

ID:

308305

PubChem CID:

125326059

Reduced:

OSCl2N4H14C17 (1)

Stoich.:

ABC2D4E14F17 (1)

Weight, g/mol:

348.193674

ΔHf, kcal/mol:

63.92

Dipole, Da:

5.91

IP(EA), eV:

 -9.02(-1.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8R,9R,10R,11R,13R,14R,17S)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2[C@H](N=NC2=S)CNC(=O)C3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations