Geometry & MOs

Info

ID:

308297

PubChem CID:

125326015

Reduced:

OSN3H19C21 (1)

Stoich.:

ABC3D19E21 (1)

Weight, g/mol:

472.209718

ΔHf, kcal/mol:

81.63

Dipole, Da:

4.42

IP(EA), eV:

 -9.27(-2.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[(6S,8R,9R,10R,11S,13S,14R,17S)-11-hydroxy-6,10,13-trimethyl-17-oxaldehydoyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CS[C@@H]2N=C3C(=CN=C3C(=O)N2C)C4=CC=CC=C4

DOS

IR

Vibrations