Geometry & MOs

Info

ID:

297611

PubChem CID:

117623750

Reduced:

O3C14H21 (2)

Stoich.:

A3B14C21 (2)

Weight, g/mol:

545.371638

ΔHf, kcal/mol:

-311.46

Dipole, Da:

5.48

IP(EA), eV:

 -9.28(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-(tert-butylamino)-1-oxopentan-3-yl] 2-[[(1R,2R,3aS,9aS)-2-hydroxy-1-[(3S)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetate

Drug info:

PubChemData

Smile

CCCCC[C@@H](CC[C@H]1[C@@H](C[C@H]2[C@@H]1CC3=C(C2)C(=CC=C3)OCC(=O)O)O)OC(=O)C(C)(C)C

DOS

IR

Vibrations