Geometry & MOs

Info

ID:

308329

PubChem CID:

125326182

Reduced:

ON4H16C17 (1)

Stoich.:

AB4C16D17 (1)

Weight, g/mol:

675.377118

ΔHf, kcal/mol:

56.91

Dipole, Da:

7.07

IP(EA), eV:

 -8.91(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[(8R,9R,10R,11S,13S,14R,17S)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 4-[2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethylamino]-4-oxobutanoate

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C21)CC(=O)NC3=CC4=C(CN=N4)C=C3

DOS

IR

Vibrations