Geometry & MOs

Info

ID:

388790

PubChem CID:

134990214

Reduced:

N3O4C27H29 (1)

Stoich.:

A3B4C27D29 (1)

Weight, g/mol:

524.278546

ΔHf, kcal/mol:

-68.49

Dipole, Da:

7.07

IP(EA), eV:

 -8.82(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[(3S,5R,6R,8R,9S,10R,13S,14S,16R,17R)-3,5-diacetyloxy-6-fluoro-17-hydroxy-10,13,16-trimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(=O)NCCNCC(COC3=CC=CC=C3C#N)O

DOS

IR

Vibrations