Geometry & MOs

Info

ID:

150930

PubChem CID:

53790627

Reduced:

OF3C11H13 (1)

Stoich.:

AB3C11D13 (1)

Weight, g/mol:

1006.493938

ΔHf, kcal/mol:

-188.58

Dipole, Da:

3.9

IP(EA), eV:

-10.02(-1.06)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[2-hydroxy-2-[(10R,11S,13S,17R)-11-hydroxy-10,13-dimethyl-17-(2-methylpropanoyloxy)-3-oxo-7,8,9,11,12,14,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-yl]acetyl] (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

CC.CC1=CC=CC=C1C(=O)C(F)(F)F

DOS

IR

Vibrations